data_1xn6_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 1xn6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 104' ' ' TRP . 23.1 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.86 145.98 46.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 m-20 -79.92 113.63 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.8 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' ASP . 10.9 ttmt -104.41 132.61 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.27 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -84.71 119.57 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 tt -147.56 153.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.0 t -114.06 118.76 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -105.45 164.33 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -91.24 71.66 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.5 -179.35 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -105.11 159.14 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -55.35 -30.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -70.14 -44.74 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -70.13 -51.99 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG13 ' CD2' ' A' ' 87' ' ' LEU . 49.5 t -54.48 -35.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.7 t-105 -68.84 -43.64 75.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 t -53.85 -30.65 46.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG12 ' A' ' 140' ' ' VAL . 69.7 t -76.13 -19.96 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.4 51.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 p -169.88 31.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -140.91 -178.13 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.1 -41.49 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -41.8 26.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.66 -48.95 82.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.22 -47.6 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.27 -20.43 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.49 2.33 22.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.576 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 29.2 p-90 -173.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 108.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.1 t80 179.56 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.59 158.74 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.8 5.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.68 172.66 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.63 72.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -43.01 148.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -138.92 114.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 tp -80.97 74.43 7.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 3.8 mt-10 -143.99 144.58 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.44 130.57 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.6 70.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.484 ' CG ' HG23 ' A' ' 43' ' ' VAL . 1.5 t60 -91.64 126.9 36.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.9 148.5 36.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.3 p90 -140.32 -172.41 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 57.4 m80 -135.57 138.01 42.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HB3' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.05 166.73 28.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 81.0 m -139.08 169.25 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -145.11 114.71 7.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.04 140.72 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.2 mt -105.47 -55.32 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.05 150.26 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -129.57 123.81 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -157.1 77.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.08 -51.39 23.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.77 -73.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.46 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.75 167.16 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.7 148.85 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 42.0 p90 -156.87 145.09 19.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -91.13 166.14 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -119.92 113.55 20.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.021 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.08 178.6 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m 40.32 38.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -167.88 -61.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.51 55.68 1.32 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.419 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 18.1 m0 -136.23 169.55 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.58 134.5 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.578 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 79.8 t -129.99 116.34 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.0 130.02 52.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 13.7 m-85 -107.77 112.44 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.56 154.93 20.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD2' HG13 ' A' ' 23' ' ' VAL . 5.7 mp -139.32 139.34 37.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -132.0 126.39 33.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.14 108.03 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.31 -45.33 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.38 -170.08 14.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.04 27.83 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 0.81 . . . . 0.0 109.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 69.2 31.73 3.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mttp -128.23 151.58 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -150.17 145.13 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -90.18 124.37 34.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.447 ' CE2' HD21 ' A' ' 137' ' ' LEU . 1.6 t80 -107.26 128.86 54.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.412 ' CG2' ' HE2' ' A' ' 11' ' ' LYS . 71.1 m -132.05 105.96 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -88.77 117.35 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -114.19 114.69 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 81' ' ' TRP . 8.7 t-160 -132.65 113.36 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.88 -138.87 6.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.42 -52.69 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 118' ' ' SER . 0.0 OUTLIER -100.15 170.59 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -70.62 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.72 140.86 26.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 93.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.23 -45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.7 161.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -138.84 142.64 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.406 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 27.8 mttt -50.74 125.44 13.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 5.0 p -56.41 -33.7 66.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -68.19 -26.69 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.52 -49.98 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.458 ' HB ' ' CZ2' ' A' ' 104' ' ' TRP . 4.7 mp -63.68 -37.11 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -55.21 -46.83 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -73.03 -46.85 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.59 -52.37 63.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 1.5 tpt -67.89 -45.02 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 15.7 t -55.14 -52.77 62.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.03 -62.72 5.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -54.83 -33.09 55.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.481 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 9.9 m95 -71.74 -42.11 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.7 t -56.82 -51.31 69.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.09 -52.41 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.9 mt -54.54 -40.64 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 46.2 t -66.5 -28.91 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -120.24 40.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.54 -76.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 140' ' ' VAL . 1.7 mttp -83.27 -59.24 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.447 HD21 ' CE2' ' A' ' 97' ' ' PHE . 31.4 tp -39.76 -60.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -48.59 -42.59 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -69.86 -29.25 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 99.5 t -71.35 -54.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.6 t -63.54 -54.03 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -51.05 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 2.6 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -42.13 154.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.3 m-20 -90.16 126.26 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.24 85.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -92.43 132.69 36.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -133.22 79.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -78.54 123.38 27.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.46 HG22 ' CE2' ' A' ' 16' ' ' PHE . 17.2 tt -147.53 152.81 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -113.0 126.4 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE2' HG22 ' A' ' 14' ' ' ILE . 63.3 m-85 -113.35 164.67 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.0 63.08 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.55 -178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -106.33 153.29 22.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.009 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.25 -33.28 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -71.93 -35.74 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 141' ' ' VAL . 7.0 ttpt -74.79 -55.77 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.65 -38.36 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 17.9 t-105 -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -32.23 60.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.66 -12.5 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 47.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -172.46 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -145.86 174.8 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.04 -45.63 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -39.49 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.34 -53.26 44.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.481 HG23 ' CB ' ' A' ' 37' ' ' PHE . 97.3 mt -66.42 -46.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.01 -20.13 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 t -75.18 -3.57 33.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CH2' HD21 ' A' ' 137' ' ' LEU . 11.3 p-90 -171.84 65.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' MET . 2.4 t80 178.04 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 163.16 158.99 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.6 8.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 2.9 p30 -163.18 -170.11 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.95 59.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 86.4 t80 -37.5 141.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.44 125.72 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.64 69.27 9.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -143.44 129.52 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' HD11 ' A' ' 66' ' ' ILE . 90.8 t -59.71 140.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.03 30.41 7.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 1.9 t60 -106.93 67.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 153.23 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -144.13 -173.55 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.44 144.16 41.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.3 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.95 42.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 63.0 m -125.73 160.12 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -139.33 116.65 11.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.41 143.91 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.82 -56.59 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 46' ' ' VAL . 22.2 mt -124.43 128.41 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.58 75.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.95 -50.63 25.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.58 -74.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -177.84 -164.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.39 167.01 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.47 151.22 50.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 14.3 p90 -156.85 142.56 17.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 p -88.68 164.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -125.1 122.3 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -76.85 -177.46 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ASP . 25.7 p 38.78 32.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -158.31 -69.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.02 -22.61 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -66.69 166.87 12.17 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -129.62 134.82 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.2 t -119.05 119.03 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 m -134.28 143.01 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -110.2 171.71 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.46 153.66 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.17 137.8 36.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -131.05 120.41 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.87 109.66 8.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.83 -39.2 7.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.34 -168.24 12.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 49.2 33.76 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 60.29 33.36 20.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.4 mtmm -124.71 159.66 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -156.3 147.32 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -91.58 115.03 27.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.437 ' CE2' HD23 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -100.88 125.89 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 69.3 m -132.57 109.13 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.91 127.76 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.4 118.75 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -128.15 121.34 29.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.585 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.31 -162.59 9.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.8 -37.68 1.33 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CE3' HD11 ' A' ' 111' ' ' LEU . 5.3 m95 -53.46 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -133.69 -49.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.1 m170 -143.43 137.4 14.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 93.67 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.95 -35.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.53 140.04 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mm -96.93 130.24 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.561 HD11 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.41 120.76 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.555 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 62.8 m -51.11 -57.77 7.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.7 p -45.74 -40.91 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.37 -46.24 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.4 -47.83 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -51.37 -46.57 62.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -64.66 -52.18 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -54.48 -52.0 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.62 66.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.2 t -52.43 -50.06 63.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -58.82 9.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.94 -36.22 93.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 129' ' ' TRP . 2.3 m95 -63.84 -39.75 94.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -66.27 -36.49 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -75.09 -51.26 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 87.7 mt -55.22 -43.13 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.01 -31.05 51.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.448 ' OD1' ' CD1' ' A' ' 14' ' ' ILE . 9.2 m-80 -113.43 36.52 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.4 mm-40 -141.89 -74.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 140' ' ' VAL . 2.4 mttp -80.6 -65.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.566 HD21 ' CH2' ' A' ' 36' ' ' TRP . 8.9 tp -38.78 -54.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -49.4 -48.47 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.6 -29.09 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 62.4 t -69.04 -55.16 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.452 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . 1.4 t -66.36 -56.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.67 -31.83 66.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.75 172.06 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -92.97 122.32 35.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 ' CG1' ' HG2' ' A' ' 122' ' ' ARG . 35.9 mt -57.69 89.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -93.72 133.38 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -130.6 88.24 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.6 m -88.2 119.48 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.426 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 1.9 tt -145.06 151.25 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' ILE . 52.2 t -105.61 141.18 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 11.4 m-85 -125.11 156.63 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -89.77 67.06 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.76 178.22 8.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -97.42 156.9 16.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -54.28 -38.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -63.64 -32.18 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -47.85 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.31 -35.92 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 26.9 t-105 -61.33 -46.44 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 108.035 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -54.62 -31.56 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.13 -9.18 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 47.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.5 p -169.04 35.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -147.9 175.74 10.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 110.452 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -42.67 7.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -42.95 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.8 -47.81 83.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -71.33 -43.44 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.81 -20.67 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -75.74 -4.8 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 137' ' ' LEU . 23.6 p-90 -168.83 64.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' MET . 45.5 t80 -179.49 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 165.14 166.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -169.62 175.4 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -115.59 75.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -43.28 154.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.571 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.04 133.25 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.98 69.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 25.7 mt-10 -146.52 130.41 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.16 136.64 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.65 18.36 51.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.3 t60 -103.71 97.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.06 151.0 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -129.44 -171.87 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.94 136.13 49.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 3.1 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.56 38.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 6.7 m -137.77 130.46 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -106.36 117.28 33.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 66' ' ' ILE . 48.5 t -59.49 129.17 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.6 mt -91.79 -55.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -136.65 150.3 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 63' ' ' VAL . 67.8 mt -133.09 114.92 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.1 m-20 -146.59 79.05 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.2 -51.08 26.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.243 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.5 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 167.62 -72.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.78 -178.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.36 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 150.88 52.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 48.5 p90 -155.8 148.1 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -96.32 159.9 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -116.45 115.04 25.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.96 -178.46 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.3 p 42.95 28.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CZ3' ' A' ' 81' ' ' TRP . 2.4 m-20 -165.46 -54.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 20.21 39.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.507 ' CZ3' ' OD2' ' A' ' 79' ' ' ASP . 17.4 m0 -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.7 134.84 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 84.4 t -136.21 135.94 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -144.95 132.55 20.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.88 112.64 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.7 157.28 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mp -141.77 133.53 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -131.4 125.31 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -84.4 110.76 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.42 -46.29 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 122.38 -169.02 14.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 53.96 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.65 27.44 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -118.42 159.21 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -149.61 141.57 23.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.56 107.29 19.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.567 ' CE2' HD23 ' A' ' 137' ' ' LEU . 65.9 t80 -92.75 124.67 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.428 HG21 ' CD1' ' A' ' 100' ' ' ILE . 52.5 m -130.36 106.75 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 131.09 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.428 ' CD1' HG21 ' A' ' 98' ' ' THR . 3.3 mp -126.44 126.1 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -133.01 107.22 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.64 -166.1 13.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.03 -32.26 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.503 ' CZ2' ' CG2' ' A' ' 121' ' ' ILE . 2.2 m95 -82.87 154.67 24.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -73.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.447 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -100.01 145.95 31.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -29.03 8.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -54.44 10.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.447 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 3.8 pt-20 -50.14 155.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 15.3 mm -128.69 142.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 9.2 mttt -51.03 117.65 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 65.2 p -55.72 -43.18 76.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -45.09 83.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.64 -46.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 104' ' ' TRP . 18.1 mm -61.88 -47.0 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.2 ttp180 -50.76 -45.74 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -47.93 46.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -52.23 63.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -29.87 67.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 16.5 t -71.64 -52.82 16.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.93 -48.56 51.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.07 88.64 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.497 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 6.3 m95 -59.93 -44.51 94.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.14 -54.74 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -62.31 -52.58 63.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 62.0 mt -54.07 -35.32 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 20.8 t -69.82 -33.98 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -115.71 43.72 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.2 mm-40 -143.67 -63.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' LEU . 11.4 mttm -95.89 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.567 HD23 ' CE2' ' A' ' 97' ' ' PHE . 5.9 tp -38.45 -48.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -59.02 -53.98 52.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 136' ' ' LYS . 69.3 t -69.0 -55.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.11 -55.18 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.86 -39.37 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -118.41 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.7 m-20 -116.18 105.99 13.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -42.75 98.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -101.24 137.3 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.51 85.33 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 m -87.35 119.74 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 16' ' ' PHE . 4.6 tt -150.56 151.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.72 126.33 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 137' ' ' LEU . 41.9 m-85 -114.52 156.56 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.73 76.52 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -165.35 176.43 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -100.34 158.77 15.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -57.36 -33.65 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -68.83 -37.67 79.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -55.17 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.74 -35.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 41.9 t-105 -62.74 -45.17 93.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -58.51 -31.48 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 140' ' ' VAL . 73.9 t -76.64 -15.51 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.96 47.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.5 p -167.27 31.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -153.26 160.17 42.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.18 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.91 49.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.86 -49.71 57.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' CB ' ' A' ' 37' ' ' PHE . 55.0 mt -63.63 -43.6 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.48 46.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -78.79 0.1 28.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CZ2' HD22 ' A' ' 137' ' ' LEU . 27.4 p-90 -176.07 63.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' MET . 66.1 t80 -179.16 -64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 162.28 167.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.15 -176.27 5.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.84 -19.46 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 51.96 173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 50' ' ' PHE . 3.9 p -167.93 128.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.26 74.67 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 35.2 mt-10 -149.47 150.45 32.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.4 ' N ' HD11 ' A' ' 66' ' ' ILE . 42.6 t -77.11 134.01 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.65 24.38 52.85 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CD2' HG22 ' A' ' 43' ' ' VAL . 3.8 t60 -99.86 107.78 19.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.584 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.67 141.61 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -125.86 -174.54 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.7 139.42 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.13 7.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 1.7 m -143.59 153.75 42.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 122.62 18.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.75 147.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -108.95 -55.11 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -131.65 144.08 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.4 HD11 ' N ' ' A' ' 46' ' ' VAL . 73.0 mt -125.26 127.75 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.4 m-20 -160.63 76.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.9 tt0 -44.74 -51.17 22.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 53.91 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 -71.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 177.11 -172.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.51 158.66 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 154.0 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 22.7 p90 -154.8 158.48 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -107.21 168.26 9.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -120.78 119.3 32.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.001 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.4 174.17 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m 39.71 36.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -160.36 -76.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.59 38.27 1.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -118.01 143.2 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.34 131.13 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 65.6 t -126.56 129.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 132.58 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.459 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 9.9 m-85 -111.9 112.67 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.15 156.95 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mp -139.93 138.34 35.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 90' ' ' LEU . 1.6 ttmm -134.2 131.65 38.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.12 116.61 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.437 ' CD2' ' HD2' ' A' ' 88' ' ' LYS . 31.9 mt -104.23 -45.44 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.13 -170.33 13.22 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.62 27.89 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 68.27 30.11 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 91' ' ' GLY . 25.7 mttm -122.97 152.16 41.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -149.37 140.13 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -83.5 120.14 25.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -105.54 120.9 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -125.47 109.79 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 85' ' ' PHE . 8.8 tt -89.48 115.84 27.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.75 114.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.1 t-160 -124.46 113.54 18.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.74 -155.59 7.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.99 -24.78 5.64 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 118' ' ' SER . 6.0 m95 -75.81 -171.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -144.43 -92.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.67 144.41 30.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.641 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.22 21.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -83.18 -60.81 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -49.98 164.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 7.6 mm -131.54 141.55 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 19.6 mttt -52.09 124.23 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 2.5 t -54.53 -46.72 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 30.6 p -43.34 -35.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.21 -40.49 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' SER . 42.8 mm -64.99 -50.12 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -64.28 -25.41 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -49.52 25.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -45.91 75.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -44.83 95.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 45.5 t -63.35 -51.26 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -48.93 -40.96 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.69 -42.28 11.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.456 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 3.9 m95 -57.23 -40.3 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.76 -46.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -69.72 -52.11 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.71 -38.52 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 19.6 t -68.34 -29.77 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -116.7 37.22 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.6 mm-40 -141.05 -69.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 140' ' ' VAL . 9.6 mtmm -87.12 -57.12 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.55 HD22 ' CZ2' ' A' ' 36' ' ' TRP . 1.2 tm? -38.93 -58.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -56.83 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -52.24 -35.98 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 136' ' ' LYS . 21.7 t -66.19 -55.38 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.67 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.1 -28.25 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -54.47 160.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.57 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.62 94.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.8 148.15 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 130' ' ' VAL . 59.4 mt-30 -148.99 83.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 m -82.4 121.21 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 16' ' ' PHE . 15.5 tt -143.14 153.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.73 122.72 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 14' ' ' ILE . 12.6 m-85 -110.9 163.13 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -92.94 70.08 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.24 -178.48 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -104.79 151.4 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -47.96 -36.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -68.47 -41.96 79.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -57.52 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 87' ' ' LEU . 85.1 t -53.68 -40.51 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 34.5 t-105 -62.88 -44.37 96.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -32.43 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -76.75 -14.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 m -128.76 45.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.9 p -165.85 30.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 p -140.65 -178.85 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -43.88 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -45.55 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.17 -43.85 63.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.07 -55.0 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.31 -20.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -15.28 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CE2' HD23 ' A' ' 137' ' ' LEU . 9.0 p-90 -143.87 -63.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' A' ' 38' ' ' MET . 46.2 t80 -46.97 -87.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.414 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -174.3 167.22 2.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.83 9.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.35 171.05 16.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -99.43 46.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASP . 89.8 t80 -34.44 136.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.33 136.36 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.49 67.37 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -144.31 136.85 26.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.417 ' N ' HD11 ' A' ' 66' ' ' ILE . 61.5 t -64.49 139.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.61 31.74 9.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 t60 -102.44 69.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.14 145.75 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.3 p90 -138.57 -174.52 3.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.18 145.99 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.402 ' OG ' ' OG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.27 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 9.0 m -116.02 155.11 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -134.8 113.78 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 66' ' ' ILE . 48.5 t -61.39 138.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.42 -54.15 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.21 147.46 52.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.471 ' CG1' HG11 ' A' ' 63' ' ' VAL . 73.8 mt -131.12 125.71 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -157.1 78.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.98 -50.98 24.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.4 3.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.7 -73.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.77 -173.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.58 162.79 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.26 154.61 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 47.1 p90 -155.52 153.19 29.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 p -93.31 168.94 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -130.02 113.13 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASP . 2.0 m-20 -69.58 -176.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 70.6 p 37.6 33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.0 m-20 -166.09 -71.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 110.19 -3.17 29.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.453 ' NE1' ' CZ2' ' A' ' 104' ' ' TRP . 21.3 m0 -77.82 146.24 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 t -116.29 135.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 64.0 t -124.02 128.56 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 p -136.85 138.56 40.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.465 ' CE1' HG13 ' A' ' 83' ' ' VAL . 10.9 m-85 -115.19 112.69 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.64 153.15 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.435 HD21 ' CG1' ' A' ' 23' ' ' VAL . 5.3 mp -136.88 136.18 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -134.85 127.39 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -79.94 119.27 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.8 mt -108.71 -35.85 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 105.74 -169.37 15.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 47.87 35.12 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 60.17 36.69 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mtmt -130.74 147.32 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 m -148.16 144.01 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.19 120.18 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -109.24 117.41 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 m -124.15 109.28 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.26 130.9 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.92 120.39 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.507 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -121.64 116.29 24.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.5 -155.42 6.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.91 -23.36 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.688 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 33.6 m95 -64.24 -178.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -132.85 -61.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 147.18 43.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -32.89 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.0 149.02 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mm -108.92 154.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.688 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -50.73 128.65 21.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.56 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 11.3 m -64.5 -39.81 94.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 p -54.33 -43.54 71.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.01 -46.5 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.98 -39.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -54.59 -47.37 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -72.15 -48.76 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -50.91 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.4 tpt -69.86 -34.83 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -58.77 -53.83 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.32 -57.02 16.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.68 -40.42 48.27 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.471 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 17.7 m95 -67.91 -42.29 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.418 HG22 ' NE2' ' A' ' 12' ' ' GLN . 69.1 t -58.0 -47.01 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -70.48 -52.7 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.65 -34.73 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 12.2 t -70.67 -33.38 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -116.78 41.73 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.8 mm-40 -142.04 -57.08 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 137' ' ' LEU . 21.7 mtmt -108.01 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.522 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.7 tm? -35.96 -64.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' ' CE1' ' A' ' 16' ' ' PHE . 7.6 tttt -51.01 -49.34 60.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.38 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 136' ' ' LYS . 36.4 t -59.53 -55.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -44.58 63.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.938 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.73 169.12 6.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.87 145.98 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.43 84.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -85.29 136.74 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -133.4 79.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 tt -150.77 151.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.54 121.49 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -107.94 156.37 19.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -86.12 76.43 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.11 174.62 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.7 m -99.23 160.91 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 21' ' ' GLN . 2.4 tt -55.64 -43.34 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.42 ' N ' HG23 ' A' ' 20' ' ' ILE . 81.9 mm-40 -65.01 -32.41 74.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -75.55 -55.15 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 87' ' ' LEU . 51.7 t -56.04 -35.36 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.1 t-105 -65.55 -44.68 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -30.83 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.402 ' CG1' HG12 ' A' ' 140' ' ' VAL . 49.3 t -76.64 -15.22 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 3.3 m -131.34 52.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 p -166.39 30.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -141.69 163.79 31.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.53 -51.68 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -39.51 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.79 -42.43 68.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.48 -53.23 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.07 -20.31 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -50.59 -26.53 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.7 p-90 -132.9 -65.74 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' TRP . 42.0 t80 -34.7 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -175.49 168.75 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . 4.4 p30 -157.95 -163.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.42 69.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 21.0 t80 -48.0 163.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -158.07 121.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -86.22 76.1 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.9 mt-10 -149.92 134.74 17.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 t -73.83 128.2 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 9.0 87.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 2.1 t60 -91.41 127.44 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' 62' ' ' LYS . 12.9 mt-10 -106.31 169.36 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 11.2 p90 -168.73 -176.71 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -118.42 144.05 46.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 40' ' ' ASN . 8.8 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 49.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -174.43 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 1.7 m -148.52 161.38 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -143.62 123.08 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 66' ' ' ILE . 84.3 t -70.68 135.77 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.03 -52.57 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.4 146.57 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG13 ' CG1' ' A' ' 63' ' ' VAL . 73.0 mt -130.94 114.96 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -146.13 83.79 1.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -48.5 -50.86 56.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.01 54.29 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 168.2 -73.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.94 -177.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.5 168.22 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.24 151.59 39.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 25.6 p90 -156.18 145.67 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.9 p -97.18 160.16 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.542 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -111.31 120.94 43.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.42 177.79 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m 38.3 34.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.45 -61.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.03 42.19 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -126.85 143.91 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.25 141.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 58.8 t -137.29 133.45 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.1 p -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 99' ' ' LEU . 2.4 m-85 -125.66 116.27 21.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.29 151.2 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 23' ' ' VAL . 3.4 mp -127.67 140.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -133.58 124.9 27.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.7 101.67 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.61 -48.01 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.41 -169.55 12.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 50.4 29.9 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.5 32.82 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' GLY . 26.0 mttt -128.95 155.57 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -153.74 141.44 19.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.3 115.19 21.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.58 126.99 48.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.7 m -132.05 110.41 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -96.63 121.76 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.27 122.25 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.464 ' CD2' HG22 ' A' ' 83' ' ' VAL . 8.5 t-160 -131.92 111.54 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.41 -144.41 4.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.59 -39.06 2.2 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 8.4 m95 -52.89 176.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -136.1 146.0 54.65 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.99 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.37 -24.14 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.67 150.82 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 27.5 mm -108.0 158.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 12.7 mttp -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.612 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 54.6 p -52.92 -33.56 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.3 p -60.91 -40.04 91.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 10.7 mt -62.25 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.33 -45.23 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 122' ' ' ARG . 0.9 OUTLIER -55.63 -44.71 77.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.76 -53.14 44.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.35 -48.44 71.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 3.4 mmt -69.81 -47.83 61.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 41.4 t -52.11 -51.82 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.44 -62.29 6.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -53.83 -23.13 21.18 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.459 ' CD1' ' O ' ' A' ' 125' ' ' MET . 9.1 m95 -77.98 -46.06 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t -54.48 -34.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.9 -51.49 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.8 mt -54.84 -43.75 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.77 -28.6 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -116.59 36.74 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.3 mm-40 -141.57 -81.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' CG2' ' A' ' 140' ' ' VAL . 3.9 mttp -79.47 -56.37 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -37.74 -41.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 16.1 tttm -68.39 -55.74 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -26.71 57.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 136' ' ' LYS . 16.0 t -72.51 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.09 -56.26 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.08 -38.05 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.35 168.3 18.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' LYS . 41.8 m-20 -92.65 133.18 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mt -62.36 84.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' ASP . 33.1 ttmt -89.36 138.26 31.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -137.5 90.93 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -85.04 119.0 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -146.91 153.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -109.52 127.6 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -109.66 143.88 38.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -78.95 62.36 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.17 -171.75 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -111.17 153.13 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -49.47 -48.97 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -56.21 -33.51 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -77.21 -57.44 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -53.49 -36.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.554 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 29.0 t-105 -61.75 -48.13 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -54.81 -30.92 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 137' ' ' LEU . 24.2 t -74.69 -11.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.56 46.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -163.57 29.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -144.59 174.13 11.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.28 -47.12 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -49.59 58.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -53.12 35.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG23 ' CB ' ' A' ' 37' ' ' PHE . 26.4 mt -63.48 -47.52 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.733 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.47 27.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -1.72 29.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 25.2 p-90 -172.21 63.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.026 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CB ' HG23 ' A' ' 33' ' ' ILE . 64.0 t80 -178.69 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.22 165.86 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 121.3 6.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.92 169.37 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -109.64 68.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -47.12 148.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -132.31 142.92 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.72 75.99 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' HD13 ' A' ' 66' ' ' ILE . 1.7 mt-10 -155.73 131.91 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' N ' HD11 ' A' ' 66' ' ' ILE . 70.2 t -64.67 130.41 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.5 2.23 87.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CG ' HG22 ' A' ' 43' ' ' VAL . 1.6 t60 -82.55 124.64 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.45 166.46 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 9.3 p90 -167.51 -178.02 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.93 159.75 35.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.489 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 2.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.475 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 3.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.36 18.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -141.52 157.94 44.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -133.13 124.96 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.83 141.55 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.44 -56.89 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -140.69 149.26 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 46' ' ' VAL . 61.9 mt -128.69 124.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -157.02 77.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.554 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -45.74 -50.73 32.45 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.04 54.18 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.38 -73.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.54 -172.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.83 166.09 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.95 151.89 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 p90 -157.2 145.27 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.6 p -93.18 170.27 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.2 t90 -123.78 120.13 31.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -80.47 -179.63 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 39.64 32.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -162.78 -61.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.66 35.22 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' TRP . 22.1 m0 -111.74 161.47 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.37 140.54 48.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 99.1 t -134.47 126.6 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -140.06 134.2 31.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.584 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 6.6 m-85 -114.74 114.62 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -84.33 153.37 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -136.43 139.93 42.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -136.21 122.38 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.83 106.85 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 96' ' ' GLU . 94.4 mt -91.22 -46.41 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.19 -171.98 16.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 48.18 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 36.07 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.2 mtmt -133.14 149.02 52.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 96' ' ' GLU . 1.2 m -147.54 145.72 29.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' HD13 ' A' ' 90' ' ' LEU . 2.5 tt0 -92.67 120.05 32.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.57 133.78 50.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.3 m -131.64 105.71 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -89.22 115.7 26.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mp -118.29 121.72 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -128.74 109.65 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.86 -159.41 9.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.2 -35.36 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.547 ' CE3' HD11 ' A' ' 111' ' ' LEU . 4.1 m95 -67.24 -169.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.86 -79.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.453 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -102.89 147.6 34.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -74.99 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.16 -48.21 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.33 152.25 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -125.67 149.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.547 HD11 ' CE3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 9.8 mttt -51.43 118.26 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.536 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -60.03 -23.79 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 90.8 p -75.95 -35.61 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.03 -42.49 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.84 -40.57 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -60.13 -49.25 78.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.73 -45.95 80.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -51.67 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.404 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -67.36 -44.19 79.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 37.1 t -63.18 -52.17 63.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.77 -52.98 23.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.25 75.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.404 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 4.5 m95 -78.33 -39.08 40.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.63 -43.05 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.49 -51.78 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.76 -40.05 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.7 t -66.83 -32.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -114.64 40.0 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.3 mm-40 -141.41 -73.25 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 139' ' ' LYS . 11.4 mtmm -81.01 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.417 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 10.6 tp -39.32 -52.7 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.66 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 136' ' ' LYS . 96.5 t -66.42 -55.27 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.11 -57.18 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.96 -39.11 73.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -139.41 -170.58 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -102.07 114.48 28.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -48.38 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASP . 31.1 ttmt -96.13 145.81 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -147.65 92.76 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.421 ' CG2' ' OE2' ' A' ' 96' ' ' GLU . 28.2 m -88.02 124.6 33.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.38 154.78 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.27 123.8 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -107.22 152.37 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.39 71.87 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.82 -173.68 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -110.01 158.92 17.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 3.2 tt -53.1 -39.77 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -58.79 -43.87 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -52.23 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.49 -35.78 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 37.1 t-105 -68.45 -50.39 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -34.3 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 137' ' ' LEU . 18.8 t -75.02 -22.49 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 m -120.35 45.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -165.6 31.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -142.18 -176.23 4.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -108.45 -35.35 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -42.67 20.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.73 -53.27 35.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 60.5 mt -60.51 -46.54 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -55.57 -20.43 13.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 8.36 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 9.8 p-90 -172.67 54.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -178.28 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 167.56 164.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.32 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 6.9 p30 -158.4 175.38 13.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.32 62.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 72.5 t80 -37.72 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.0 123.89 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -90.22 80.8 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -154.23 131.64 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.41 ' N ' HD11 ' A' ' 66' ' ' ILE . 40.9 t -68.64 130.26 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.39 89.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.0 151.89 23.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.64 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.93 170.28 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.1 p90 -144.99 147.58 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.57 135.64 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.578 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 59' ' ' SER . 2.6 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 21.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 54.5 m -106.07 147.41 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -124.42 127.55 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 66' ' ' ILE . 32.8 t -65.26 124.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.18 -56.18 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -133.89 147.6 51.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 63' ' ' VAL . 72.9 mt -126.88 127.88 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -161.25 77.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.61 -51.25 29.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.05 54.43 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.43 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.24 -172.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.55 170.54 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.82 157.2 44.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 20.9 p90 -156.99 153.16 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 p -105.02 162.87 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -117.96 114.15 22.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -72.81 175.27 6.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.0 OUTLIER 41.43 32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -157.38 -71.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.88 29.77 4.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -107.76 146.35 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.83 129.89 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 47.9 t -130.25 137.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -147.28 142.26 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.4 ' CE1' ' HH2' ' A' ' 36' ' ' TRP . 18.3 m-85 -114.58 113.34 24.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.89 151.83 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.3 mp -129.38 142.22 50.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -135.72 125.89 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.32 103.61 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 96' ' ' GLU . 51.5 mt -92.7 -40.33 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 102.96 -171.26 20.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 49.21 34.96 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.77 34.23 14.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mtmm -131.77 145.95 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.88 145.02 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.454 ' CB ' HD11 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -91.13 117.62 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -104.46 127.18 52.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -130.7 108.56 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.38 131.6 36.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.08 126.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.21 106.92 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.28 -168.29 13.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.45 -9.6 5.3 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' A' ' 111' ' ' LEU . 1.8 m95 -103.98 178.56 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -140.79 -78.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m80 -100.29 141.97 23.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.01 -20.7 16.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -54.68 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.13 164.12 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -126.83 163.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 51.0 mttt -50.59 120.05 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.552 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.3 m -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.0 p -42.86 -41.69 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.56 -39.37 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' SER . 30.6 mm -57.69 -49.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.9 ptm180 -66.42 -25.53 66.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 15.9 t0 -72.8 -51.95 16.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.99 -39.14 91.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -50.3 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 27.5 t -54.48 -52.78 60.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.14 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.22 -36.65 93.49 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.496 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 5.1 m95 -61.27 -41.61 97.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.86 -52.11 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -62.63 -52.38 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.5 mt -55.0 -40.78 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 15.0 t -65.78 -29.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.99 41.26 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.5 mm-40 -142.44 -56.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 139' ' ' LYS . 20.3 mttm -101.56 -72.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.551 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 16.2 tp -37.35 -41.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 37.1 tttm -60.62 -55.09 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.94 -30.11 71.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 26' ' ' VAL . 71.6 t -63.46 -55.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.2 t -72.55 -41.56 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 4.9 tt0 -67.74 -21.3 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -71.89 153.12 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' LYS . 4.3 m-20 -77.72 133.15 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 122' ' ' ARG . 23.9 mt -60.63 84.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASP . 22.9 ttmt -88.83 130.62 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 130' ' ' VAL . 13.9 mt-30 -130.72 82.78 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -81.35 123.88 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 16' ' ' PHE . 12.6 tt -149.96 151.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.37 126.64 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.479 ' CE1' HD12 ' A' ' 14' ' ' ILE . 33.9 m-85 -113.27 158.42 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -85.95 75.67 9.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.37 172.35 8.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -95.25 156.12 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.33 -35.81 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -64.02 -45.31 89.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -56.21 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.2 t -52.2 -45.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.2 t-105 -57.23 -46.74 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -31.64 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.0 t -77.45 -0.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -144.65 40.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.495 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 97.8 p -160.7 35.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 p -149.96 176.77 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -46.36 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -39.7 28.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.54 -46.04 66.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.413 HG22 ' CB ' ' A' ' 37' ' ' PHE . 61.9 mt -75.13 -46.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.56 -20.77 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -72.7 -4.63 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 17.4 p-90 -173.45 66.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.413 ' CB ' HG22 ' A' ' 33' ' ' ILE . 92.0 t80 -179.61 -70.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.5 mtm 171.16 165.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.93 178.13 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.09 72.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 78.0 t80 -40.22 146.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 1.2 p -135.56 128.2 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -95.66 66.03 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -141.58 136.02 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.23 137.41 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.25 25.61 54.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -110.38 86.74 2.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 152.13 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.4 p90 -130.16 -173.61 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.66 136.79 53.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 2.1 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -111.45 136.51 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 115.87 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' CG1' HG13 ' A' ' 66' ' ' ILE . 87.6 t -61.99 130.02 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.47 -57.03 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.48 148.9 49.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG13 ' CG1' ' A' ' 63' ' ' VAL . 81.0 mt -137.45 113.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 5.8 m-20 -147.91 80.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.23 -51.15 26.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.06 54.57 3.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.01 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 177.25 -173.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.23 165.83 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 151.7 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 31.0 p90 -157.07 147.7 21.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.9 p -92.56 159.38 15.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.71 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 108.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.51 -175.9 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 p 46.17 29.65 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.23 -72.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.19 2.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 m0 -107.35 166.77 10.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 t -135.65 137.11 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 52.2 t -133.78 128.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.8 t -136.2 133.43 37.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.489 ' CE1' HD12 ' A' ' 99' ' ' LEU . 53.3 m-85 -104.82 112.94 26.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.26 154.51 25.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -142.9 129.47 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -125.95 135.04 51.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.52 109.54 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -97.53 -47.45 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.41 -170.13 14.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.85 24.77 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.253 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.93 30.8 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLY . 22.1 mttt -123.4 161.41 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -154.94 146.59 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.62 110.57 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -100.47 126.15 46.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 56.4 m -131.8 116.89 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD12 ' CE1' ' A' ' 85' ' ' PHE . 2.8 tp -97.63 123.68 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.82 124.69 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.5 t-160 -128.11 109.49 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.89 -171.88 15.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.32 -36.46 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 0.9 OUTLIER -78.69 -170.21 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -147.39 -76.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -106.73 134.37 19.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.555 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.97 -53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 141.22 55.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.7 mm -96.65 161.0 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -54.13 129.95 36.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 6.3 m -50.51 -51.75 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.478 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 11.8 p -48.15 -35.67 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.7 -29.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 118' ' ' SER . 45.5 mm -75.29 -50.17 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.43 -25.29 67.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -50.78 19.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -42.33 84.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -66.73 -45.92 77.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 25.8 t -59.09 -53.18 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.52 -58.75 7.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.58 -34.29 69.24 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.551 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 8.3 m95 -68.77 -45.26 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.498 ' CG2' ' OE1' ' A' ' 12' ' ' GLN . 75.4 t -54.97 -48.99 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.25 -52.26 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.45 -32.72 25.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 44.7 t -74.33 -32.79 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -115.84 40.43 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 6.1 mm-40 -141.15 -68.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' LYS . 3.6 mttp -91.48 -67.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 18.4 tp -39.01 -45.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -58.45 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.74 -29.77 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 136' ' ' LYS . 96.3 t -64.51 -55.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -54.54 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.12 -40.2 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -119.32 171.98 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.41 125.55 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.26 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -91.06 132.89 35.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -128.66 89.52 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -82.32 123.99 29.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.61 154.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.18 132.66 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -120.41 149.79 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -80.15 67.86 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.45 177.81 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -103.67 157.57 16.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -49.7 -44.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -58.21 -48.2 81.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -53.48 -35.65 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.7 t-105 -63.03 -48.82 77.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 t -54.5 -31.41 55.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 t -73.92 -5.8 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.13 43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -162.61 29.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -138.98 161.58 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.57 -44.3 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -42.9 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.73 -52.08 48.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.13 -43.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.89 -20.54 37.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -4.85 46.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 16.9 p-90 -167.18 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' MET . 8.7 t80 -178.74 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 161.26 165.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.83 5.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.34 -178.63 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -121.26 78.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.43 163.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -153.14 143.1 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -111.48 78.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -156.46 123.11 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' HD13 ' A' ' 66' ' ' ILE . 39.6 t -60.37 127.39 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.2 2.98 85.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -97.27 136.02 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.584 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.56 157.42 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.4 p90 -138.07 160.12 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.07 144.8 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.545 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.62 38.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 72.1 m -130.86 143.82 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -123.54 126.47 46.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG12 ' CG1' ' A' ' 66' ' ' ILE . 75.2 t -65.14 134.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -99.99 -54.3 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -137.48 146.02 43.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.454 ' CG1' HG12 ' A' ' 63' ' ' VAL . 69.7 mt -131.36 130.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.8 m-20 -163.01 81.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.7 tt0 -47.4 -50.95 46.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.51 -73.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.58 -175.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 169.74 17.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.86 150.18 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 34.4 p90 -153.43 145.59 23.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -92.23 164.17 13.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -122.08 120.39 34.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.053 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.7 -175.06 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p 38.22 41.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.18 -82.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.8 1.44 8.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -82.99 155.71 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.84 137.32 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.591 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 97.5 t -128.45 120.98 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -137.0 145.81 44.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 99' ' ' LEU . 45.6 m-85 -115.14 113.3 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 71' ' ' HIS . 16.4 m-20 -85.4 153.87 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mp -138.41 140.56 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -135.27 125.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.74 113.33 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 96' ' ' GLU . 77.4 mt -100.86 -45.76 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.6 -171.63 14.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.9 25.54 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.95 30.29 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.7 mtmm -123.11 153.75 39.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -148.01 141.43 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.41 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -87.58 113.64 23.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 137' ' ' LEU . 1.9 t80 -99.13 127.67 45.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.3 m -133.28 107.2 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -90.08 122.54 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 mp -118.46 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -131.15 115.6 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.34 -170.6 14.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.77 -32.03 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.592 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 1.0 OUTLIER -93.33 161.61 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -119.97 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.534 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 80.1 m80 -108.38 147.47 35.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' PRO . 11.5 t70 77.11 -56.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -58.8 128.73 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.5 mm -81.72 156.76 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 3.2 mttp -52.2 126.56 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 34.1 m -61.42 -51.49 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 10.1 p -44.63 -27.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.66 -50.83 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 2.3 mp -53.75 -50.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.82 -29.7 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -39.53 65.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -74.45 -48.68 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.564 ' HG2' ' CD1' ' A' ' 129' ' ' TRP . 3.0 ttt -62.94 -43.46 98.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 31.3 t -56.61 -52.3 65.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.35 7.19 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.04 -35.36 83.5 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.564 ' CD1' ' HG2' ' A' ' 125' ' ' MET . 2.5 m95 -63.83 -43.06 97.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.39 -53.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.52 -50.87 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.8 mt -54.31 -47.48 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.53 -29.43 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.05 35.87 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.96 -65.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 137' ' ' LEU . 50.3 mtmt -86.26 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 97' ' ' PHE . 26.0 tp -37.05 -46.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -54.15 -56.8 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.22 -30.26 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.34 -55.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.8 t -65.66 -56.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.01 -32.06 63.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -109.96 169.38 8.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.07 121.88 37.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -56.88 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ASP . 8.2 ttmt -94.41 132.24 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -130.31 85.44 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.6 m -80.17 120.47 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.0 tt -144.11 152.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -115.08 121.21 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -106.71 157.06 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.4 66.19 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.12 176.75 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -96.12 160.27 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -54.67 -41.83 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.05 -35.74 81.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -69.06 -56.38 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.93 -40.54 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 36.0 t-105 -57.52 -45.29 85.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -57.35 -30.72 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 140' ' ' VAL . 93.1 t -79.13 0.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.61 47.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -164.6 29.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -144.84 -176.53 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HB1' ' N ' ' A' ' 42' ' ' PHE . . . -104.35 -34.11 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -40.75 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.59 -53.55 40.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -61.35 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -19.8 7.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.49 6.67 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' A' ' 137' ' ' LEU . 11.5 p-90 -175.25 60.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' O ' ' SD ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 176.67 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 168.48 160.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.11 11.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' PHE . 5.4 t0 -108.5 59.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' N ' ' HB1' ' A' ' 30' ' ' ALA . 88.2 t80 -37.54 143.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.486 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 3.4 p -132.54 131.95 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -96.62 73.76 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -145.3 147.67 32.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 66' ' ' ILE . 54.2 t -73.09 134.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.44 29.38 30.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.459 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 1.7 t60 -98.51 112.81 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.568 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.1 154.26 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -147.65 -175.25 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.57 137.58 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.73 26.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 94.9 m -148.51 157.54 43.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -138.64 128.1 24.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.67 142.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.68 -53.48 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -135.89 156.72 48.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 46' ' ' VAL . 66.8 mt -137.11 133.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.7 m-20 -166.26 76.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.6 tt0 -44.83 -50.64 24.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.29 3.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.28 -71.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.34 -171.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 161.41 42.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 157.15 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.478 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 17.3 p90 -156.98 142.26 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.8 p -90.25 159.79 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -116.76 115.22 25.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.987 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.7 t0 -79.03 177.75 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.8 -61.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 81.7 m-20 -79.07 -70.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.76 49.5 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.437 ' CE3' ' HE2' ' A' ' 125' ' ' MET . 7.6 m0 -126.6 158.16 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.46 134.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 62.1 t -131.46 141.43 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.5 p -149.97 147.71 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 m-85 -121.11 114.37 21.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -82.72 149.87 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.96 128.16 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -127.26 118.82 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.15 111.44 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 mt -97.75 -40.92 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.07 -168.85 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 48.95 33.89 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.96 34.35 19.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.5 mtmm -128.73 150.42 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.9 m -144.66 149.49 35.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.99 109.25 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 85' ' ' PHE . 68.3 t80 -98.54 130.37 45.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -132.67 109.29 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 85' ' ' PHE . 1.1 tt -89.91 120.66 31.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.08 130.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.1 t-160 -131.79 109.32 10.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.12 -172.7 16.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.28 -22.32 4.22 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.598 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 7.1 m95 -87.22 174.0 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.4 -86.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 140.59 23.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -6.63 18.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -45.61 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.68 125.27 25.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 116' ' ' ALA . 7.1 mm -94.06 144.84 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.598 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.512 ' N ' ' CG2' ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -51.95 123.9 11.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.54 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 26.5 m -62.9 -45.78 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.444 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 52.4 p -49.47 -29.13 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.61 -35.73 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.1 mm -66.57 -50.43 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -63.12 -25.32 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.2 -46.22 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.01 -49.74 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.437 ' HE2' ' CE3' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -61.71 -51.13 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 46.4 t -55.51 -48.14 75.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.92 -55.67 24.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.58 -20.99 70.48 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.48 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 7.7 m95 -78.79 -37.98 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.11 -46.15 92.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.01 -51.36 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.6 mt -55.05 -39.02 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 22.0 t -67.59 -33.21 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.69 39.24 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.2 mm-40 -141.35 -69.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 139' ' ' LYS . 39.3 mtmt -80.87 -68.62 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tt -38.76 -47.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 9.4 tttm -52.96 -52.09 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -68.49 -28.63 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.429 HG12 ' CG1' ' A' ' 26' ' ' VAL . 40.9 t -69.08 -55.0 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.71 -56.88 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 10.1 tt0 -54.71 -35.52 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 149.04 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -82.45 118.24 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt -54.51 90.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.2 ttpt -98.35 128.48 44.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.586 HE22 ' N ' ' A' ' 130' ' ' VAL . 7.3 mt-30 -124.87 87.07 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -84.47 122.11 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.0 tt -149.46 153.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.4 t -113.08 121.84 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -106.84 141.8 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.64 62.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.54 -171.7 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -111.14 161.63 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.3 -41.34 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -65.49 -30.28 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -54.46 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 87' ' ' LEU . 24.3 t -55.78 -36.31 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t-105 -61.06 -46.68 89.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -56.6 -31.14 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.84 -7.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -135.42 43.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -165.93 34.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 p -141.27 168.3 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.78 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -37.95 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.78 -52.76 40.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 37' ' ' PHE . 96.6 mt -64.25 -51.85 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.06 -20.69 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.49 -7.37 52.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.7 p-90 -168.68 65.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 107.949 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.47 ' CB ' HG22 ' A' ' 33' ' ' ILE . 42.8 t80 -179.11 -67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.452 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 164.38 167.36 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -165.61 177.94 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.8 t70 -117.14 64.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' ASP . 69.4 t80 -37.45 156.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.652 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -148.55 118.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.06 78.97 9.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 6.4 mt-10 -155.18 138.92 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' N ' HD12 ' A' ' 66' ' ' ILE . 78.6 t -74.2 131.07 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.56 10.02 74.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CD2' ' CG2' ' A' ' 43' ' ' VAL . 1.8 t60 -87.28 115.53 24.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.96 136.8 42.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 1.1 p90 -133.97 -172.56 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.06 142.12 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.518 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 15.3 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p -149.41 156.58 42.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -132.25 131.1 41.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 66' ' ' ILE . 99.0 t -66.51 134.31 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.5 mt -98.06 -52.64 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.48 150.15 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 63' ' ' VAL . 88.6 mt -134.96 127.69 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 m-20 -158.24 82.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -46.47 -52.45 29.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.21 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 169.03 -74.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 177.43 -177.95 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -141.26 170.58 15.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.54 150.67 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.4 p90 -153.46 141.32 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.7 p -94.34 143.1 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CZ2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -100.63 114.65 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 107.991 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -75.54 -179.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m 38.25 45.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -170.03 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.8 43.43 1.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -128.42 162.52 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.29 133.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 72.4 t -129.97 130.05 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -139.96 135.24 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 99' ' ' LEU . 44.4 m-85 -103.25 112.76 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.13 150.93 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' A' ' 23' ' ' VAL . 6.4 mp -136.74 138.17 40.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -134.0 130.12 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.47 118.14 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 96' ' ' GLU . 11.7 mt -108.99 -40.63 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 110.32 -167.7 12.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 47.87 34.88 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.7 m120 59.81 36.37 22.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' GLY . 8.2 mtmm -129.93 146.95 51.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -143.33 138.3 29.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 4.6 tt0 -85.21 109.26 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 137' ' ' LEU . 2.4 t80 -96.73 128.02 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 50.1 m -133.18 106.81 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -90.67 122.13 33.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.31 130.05 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -132.98 107.48 8.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.33 -161.32 11.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.58 -42.68 1.4 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.524 ' CE3' HD13 ' A' ' 111' ' ' LEU . 3.6 m95 -65.51 179.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.35 -73.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 145.72 32.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.94 20.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -52.38 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.56 140.4 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mm -101.22 161.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -51.25 130.49 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.7 m -59.78 -50.76 72.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.475 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 78.0 p -45.61 -33.94 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.24 -37.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.432 HG23 ' CZ2' ' A' ' 104' ' ' TRP . 35.4 mm -67.79 -50.37 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.475 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -63.99 -25.74 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.16 -59.09 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -55.21 -41.43 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -69.15 -48.34 62.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -47.95 82.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.23 -51.04 27.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.404 ' O ' ' CG1' ' A' ' 132' ' ' ILE . . . -67.36 -32.0 78.39 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.495 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 11.7 m95 -65.91 -42.14 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.586 ' N ' HE22 ' A' ' 12' ' ' GLN . 76.4 t -59.71 -50.77 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -65.68 -51.95 55.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 128' ' ' GLY . 65.7 mt -55.65 -39.05 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 13.4 t -66.77 -31.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -115.64 38.34 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.5 mm-40 -142.06 -62.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.4 mtmm -91.37 -69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.493 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 1.6 tt -35.61 -56.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -55.84 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -60.29 -37.34 80.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.59 -55.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.68 -57.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -20.94 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.69 177.11 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 128.98 35.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -59.91 95.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -94.92 131.65 40.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.617 HE22 ' N ' ' A' ' 130' ' ' VAL . 20.6 mt-30 -130.25 91.31 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.1 m -90.95 122.49 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.1 tt -144.77 151.37 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.09 136.77 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 137' ' ' LEU . 44.3 m-85 -124.92 160.54 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -89.05 64.07 6.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.38 -178.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 149.55 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.424 ' HA ' ' CG2' ' A' ' 95' ' ' THR . 1.5 tt -45.14 -42.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' NE2' HG22 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -59.29 -47.48 85.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -56.01 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.47 -37.6 38.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.554 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.0 t-105 -60.99 -45.89 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -58.43 -31.03 67.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 ' CG1' ' A' ' 140' ' ' VAL . 77.7 t -76.25 -5.85 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.01 44.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -165.92 30.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 5.3 p -138.07 -176.23 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -104.16 -38.75 6.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -43.5 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.2 37.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG22 ' CG ' ' A' ' 37' ' ' PHE . 36.1 mt -58.71 -47.37 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.26 -20.27 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -8.83 57.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.9 p-90 -171.27 65.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CG ' HG22 ' A' ' 33' ' ' ILE . 12.7 t80 -178.89 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 165.72 163.78 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.57 8.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.463 ' CB ' HG12 ' A' ' 52' ' ' VAL . 8.8 p30 -168.24 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' PHE . 3.1 m-20 -118.08 66.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 29' ' ' THR . 64.9 t80 -37.64 156.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.561 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 2.8 p -146.58 127.11 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 tp -94.05 64.7 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 1.7 mt-10 -142.85 139.2 30.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 66' ' ' ILE . 75.9 t -69.5 136.36 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 23.52 48.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.457 ' CD2' HG22 ' A' ' 43' ' ' VAL . 3.5 t60 -101.9 62.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 145.48 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 2.0 p90 -132.76 -172.17 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 146.16 49.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.463 HG12 ' CB ' ' A' ' 40' ' ' ASN . 14.5 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.2 Cg_endo -75.01 133.59 16.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 11.1 m -104.28 167.12 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -142.75 113.72 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 66' ' ' ILE . 85.9 t -56.01 124.84 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.79 -57.21 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -133.28 150.66 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 63' ' ' VAL . 69.9 mt -126.6 124.61 65.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.5 m-20 -159.41 75.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.554 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.03 -52.18 20.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 54.07 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 178.86 -171.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.03 164.33 38.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.16 156.39 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 27.1 p90 -157.11 143.81 18.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.4 p -89.56 137.4 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.77 131.38 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.956 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -78.87 177.0 9.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 77' ' ' ASP . 70.3 p 47.98 23.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER 172.87 102.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.3 -19.07 3.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.631 ' NE1' ' CH2' ' A' ' 104' ' ' TRP . 1.2 m0 -54.13 119.32 4.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 83' ' ' VAL . 2.2 t -93.91 158.53 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.562 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 48.8 t -132.52 128.25 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -136.59 137.86 40.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.12 112.7 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.98 155.76 19.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.98 142.92 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -138.14 121.62 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.54 121.55 23.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 mt -110.05 -43.55 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.01 -169.47 13.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 51.28 28.36 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.76 30.82 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 91' ' ' GLY . 4.9 mtmm -124.14 150.02 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 20' ' ' ILE . 80.5 m -143.13 147.07 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.21 101.46 12.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -87.15 125.32 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.41 ' CG2' HD11 ' A' ' 100' ' ' ILE . 87.3 m -127.74 105.62 8.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.75 134.02 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.41 HD11 ' CG2' ' A' ' 98' ' ' THR . 1.9 mp -128.97 123.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -132.0 108.96 9.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.12 -156.49 10.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.43 -33.32 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CH2' ' NE1' ' A' ' 81' ' ' TRP . 1.4 m95 -84.71 173.77 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.33 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.484 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -104.4 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.96 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -40.25 8.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.11 166.74 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 4.6 mm -138.06 130.41 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.7 mttm -50.83 132.27 26.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 82.6 p -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.4 p -66.86 -44.17 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.52 -45.08 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.1 mm -67.61 -46.93 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -42.76 62.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.17 -54.3 31.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -49.99 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -52.91 63.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.4 t -53.35 -49.87 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.64 -60.14 6.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.26 -29.65 60.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.467 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 5.2 m95 -72.03 -43.32 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.617 ' N ' HE22 ' A' ' 12' ' ' GLN . 8.1 t -60.2 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.29 -51.74 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.99 -36.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 17.8 t -67.95 -34.36 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -113.83 40.8 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.0 mm-40 -141.54 -65.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 137' ' ' LEU . 32.9 mtmt -92.53 -64.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 2.4 tm? -39.42 -47.7 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -56.95 14.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -59.88 -32.59 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 26' ' ' VAL . 49.7 t -63.58 -54.94 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.71 -57.09 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -32.15 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -104.28 -174.09 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.1 m-20 -95.5 116.22 28.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' HIS . 23.4 mt -43.68 97.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.6 ttmm -96.3 127.63 42.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.433 ' OE1' ' CG2' ' A' ' 130' ' ' VAL . 3.2 mt-30 -128.48 83.24 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -83.6 121.65 27.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -149.93 151.05 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -109.82 125.28 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -112.9 159.27 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.36 69.39 9.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.02 179.86 8.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -105.68 153.9 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 tt -49.1 -36.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -69.9 -39.22 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -57.43 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.6 -35.57 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 48.3 t-105 -67.13 -45.93 75.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -56.99 -34.7 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.32 -14.22 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.76 41.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.4 p -167.25 36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 p -146.61 172.61 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 -44.71 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -42.2 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.79 78.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 42' ' ' PHE . 51.4 mt -70.34 -52.92 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' MET . . . -57.23 -19.28 20.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' PHE . 2.0 p-90 -152.55 -68.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.014 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CB ' HG21 ' A' ' 33' ' ' ILE . 1.2 t80 -34.23 -69.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.83 158.54 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.44 13.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.558 ' N ' HD21 ' A' ' 40' ' ' ASN . 0.1 OUTLIER -172.98 -172.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.28 61.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.49 ' CG ' HD12 ' A' ' 33' ' ' ILE . 89.0 t80 -49.52 136.8 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 ' CD2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -128.76 133.36 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -94.47 75.86 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CG2' ' A' ' 43' ' ' VAL . 1.3 mp0 -148.48 134.26 18.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.19 137.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.66 25.45 51.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' CD2' HG22 ' A' ' 43' ' ' VAL . 1.7 t60 -102.07 97.98 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.33 149.97 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.6 p90 -145.23 -175.66 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.58 145.06 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 63.5 m -147.93 157.98 43.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 122.51 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.17 148.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.83 -56.12 2.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.77 149.32 51.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.1 mt -124.8 127.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' HIS . 8.8 m-20 -162.33 77.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -46.26 -50.84 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.26 -72.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 176.15 -173.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.92 162.52 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.1 150.23 52.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 46.0 p90 -154.86 146.64 23.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -94.12 165.94 12.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -118.83 112.94 20.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -64.46 173.3 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m 38.33 40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.448 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -163.18 -66.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.21 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -100.75 160.11 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -132.69 126.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.0 t -123.17 127.78 74.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t -134.15 129.86 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' CE1' HD13 ' A' ' 99' ' ' LEU . 8.7 m-85 -103.69 113.04 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.37 157.32 26.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mp -143.94 130.3 19.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -129.05 127.3 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -75.84 105.59 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 96' ' ' GLU . 93.6 mt -92.66 -49.28 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.66 -171.75 13.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 47.98 35.58 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.54 36.45 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.7 mtmm -132.64 146.84 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.06 144.81 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 90' ' ' LEU . 3.5 tt0 -86.18 112.97 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.427 ' CZ ' HD11 ' A' ' 137' ' ' LEU . 6.5 t80 -98.77 123.12 42.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.415 HG21 ' CD1' ' A' ' 100' ' ' ILE . 41.5 m -130.26 112.02 12.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 85' ' ' PHE . 6.5 tt -88.72 115.4 26.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 ' CD1' HG21 ' A' ' 98' ' ' THR . 12.8 mm -109.77 110.43 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 10' ' ' ILE . 6.9 t-160 -131.88 118.3 19.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.9 -153.13 7.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.83 -50.19 0.89 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.659 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 2.1 m95 -66.14 178.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -139.58 -80.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m170 -102.98 134.75 19.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.03 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.44 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 142.92 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 111' ' ' LEU . 10.3 mm -96.31 160.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.659 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.46 124.28 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.607 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 3.2 p -60.37 -20.68 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.1 p -77.53 -42.14 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.9 mt -61.19 -46.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.55 -48.65 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -55.37 -41.47 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.38 -52.15 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -47.66 75.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.4 OUTLIER -69.28 -53.07 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 40.7 t -54.55 -52.58 61.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.16 -54.06 41.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.39 -26.3 66.11 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 6.3 m95 -75.91 -40.57 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.433 ' CG2' ' OE1' ' A' ' 12' ' ' GLN . 68.7 t -57.29 -46.52 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.59 -51.26 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -54.86 -43.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.9 t -64.84 -29.59 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.8 37.84 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.4 mm-40 -141.67 -71.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 139' ' ' LYS . 10.4 mtmt -83.86 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' LYS . 1.2 tt -38.56 -48.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -51.1 -51.87 49.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.88 -33.99 74.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.19 -52.4 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.9 -57.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -34.9 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -98.22 156.43 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 132.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.22 84.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -85.54 134.58 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.48 HE22 ' N ' ' A' ' 130' ' ' VAL . 45.5 mt-30 -131.27 90.85 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.7 m -88.76 119.0 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.488 HD13 ' CE1' ' A' ' 16' ' ' PHE . 10.1 tt -146.26 154.37 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.08 121.11 64.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE1' HD13 ' A' ' 14' ' ' ILE . 40.9 m-85 -108.86 153.59 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -84.16 76.1 10.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.05 174.5 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.6 m -95.55 156.12 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -39.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.69 -33.75 75.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -57.53 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.22 -35.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' A' ' 68' ' ' GLU . 28.3 t-105 -59.05 -46.11 89.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 t -57.87 -30.96 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' HG13 ' A' ' 140' ' ' VAL . 79.2 t -76.07 -10.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 m -132.21 48.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.3 p -157.25 -44.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -71.01 159.66 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.32 -41.61 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -51.1 53.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.72 -52.39 52.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 50.8 mt -58.97 -45.98 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.26 27.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 13.14 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CZ3' HD13 ' A' ' 137' ' ' LEU . 7.6 p-90 -174.9 47.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -171.68 -72.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mtm 175.45 163.22 0.41 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.76 -175.19 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -120.45 62.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' CD2' HD12 ' A' ' 33' ' ' ILE . 14.4 t80 -36.52 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.6 p -141.01 132.64 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 tp -98.17 78.63 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 5.5 mt-10 -151.95 137.72 17.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.88 129.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.65 89.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.549 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.4 t60 -92.16 146.22 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.88 155.1 51.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.05 -176.11 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.98 148.95 39.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 95.1 m -147.63 158.56 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -137.25 118.47 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 66' ' ' ILE . 99.5 t -58.16 127.83 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -90.94 -56.28 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.42 149.55 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 45' ' ' GLU . 15.3 mt -132.14 121.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -154.91 77.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 1.4 tt0 -44.82 -50.69 24.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.54 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.2 -73.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 179.31 -171.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.88 159.92 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.56 156.27 45.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 9.0 p90 -155.08 143.32 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.5 p -93.22 167.68 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.455 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -123.83 119.19 28.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.21 171.84 13.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.8 p 44.7 27.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.69 -56.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.02 -19.47 54.66 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -59.38 145.91 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.37 143.87 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 25.4 t -136.76 137.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 t -146.47 145.71 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.8 112.95 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 155.97 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.36 135.29 38.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -132.44 124.08 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.25 114.7 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 96' ' ' GLU . 20.0 mt -100.18 -42.86 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.25 -174.41 15.52 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 53.03 25.11 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 72.88 26.67 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' GLY . 7.3 mtmt -119.52 145.79 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -141.73 141.15 33.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.3 tt0 -83.98 120.23 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 137' ' ' LEU . 2.0 t80 -106.27 127.24 53.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.6 m -133.01 109.08 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.94 131.48 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.7 129.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.472 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -130.45 113.85 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.08 179.24 16.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.34 -19.18 1.18 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.579 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 1.2 m95 -92.94 -165.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -160.73 -60.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -113.07 140.08 23.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -25.86 11.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -56.22 7.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.94 147.74 27.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 111' ' ' LEU . 3.2 mt -118.82 161.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.452 HD12 ' CZ3' ' A' ' 104' ' ' TRP . 2.6 mp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -50.86 123.05 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.579 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 80.4 p -46.8 -37.83 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -54.98 -35.1 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.43 -50.94 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.04 -47.76 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -55.49 -48.11 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.28 -55.26 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.39 -51.36 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -32.2 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.8 t -59.64 -53.2 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.7 27.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -50.91 -30.69 22.94 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.492 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 8.0 m95 -78.57 -41.92 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.48 ' N ' HE22 ' A' ' 12' ' ' GLN . 13.0 t -60.63 -41.72 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.45 -51.58 16.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.44 -37.73 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 24.1 t -67.84 -30.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.27 38.55 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.7 mm-40 -141.47 -71.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 137' ' ' LEU . 23.7 mtmt -79.47 -70.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.57 HD13 ' CZ3' ' A' ' 36' ' ' TRP . 10.1 tt -39.32 -51.43 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -49.12 -56.06 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 143' ' ' GLY . 3.0 mtpt -64.01 -32.05 73.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.438 HG13 ' CG1' ' A' ' 26' ' ' VAL . 52.1 t -64.51 -54.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.62 -57.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -35.17 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -47.81 153.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -86.68 128.03 34.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.48 82.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' ASP . 29.1 ttmt -87.7 135.01 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' NE2' HG22 ' A' ' 130' ' ' VAL . 36.0 mt-30 -131.29 86.55 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -83.06 122.97 29.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tt -151.24 154.3 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.29 124.02 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -105.91 154.54 20.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.66 78.85 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -171.73 -175.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -104.61 154.07 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' TRP . 4.5 tt -50.29 -42.94 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -56.62 -45.28 81.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -53.71 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.19 -36.55 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 16.3 t-105 -67.01 -49.28 65.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -31.2 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 16.8 t -75.11 -5.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.13 41.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -161.33 27.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -138.13 173.83 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.97 -43.82 11.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -42.06 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.86 44.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.58 -55.06 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.799 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.35 -21.89 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -7.82 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CH2' HD23 ' A' ' 137' ' ' LEU . 16.0 p-90 -172.11 65.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' CZ2' ' A' ' 76' ' ' TRP . 72.5 t80 178.43 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 177.37 152.54 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 128.68 11.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 40' ' ' ASN . 0.2 OUTLIER -173.32 178.82 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.05 78.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.3 154.08 14.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.01 134.73 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -96.96 70.54 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 mm-40 -138.51 141.54 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.44 133.99 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 24.07 56.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 1.3 t60 -93.88 113.95 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.786 . . . . 0.0 109.609 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.09 144.69 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -141.09 -173.81 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 145.0 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 9.7 p -160.48 159.93 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -136.23 125.21 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.449 HG12 ' CG1' ' A' ' 66' ' ' ILE . 42.1 t -61.58 138.87 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -99.34 -56.52 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.24 150.59 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.449 ' CG1' HG12 ' A' ' 63' ' ' VAL . 51.0 mt -130.36 123.35 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.2 m-20 -154.98 77.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -44.91 -52.01 20.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.0 54.03 3.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.26 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.44 -171.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.57 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.42 165.96 32.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.18 154.98 49.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 38.0 p90 -154.81 147.35 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -97.05 136.92 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CZ2' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -98.56 115.93 29.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.91 171.83 14.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.4 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 58.14 40.99 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -178.68 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.13 40.37 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -118.17 161.46 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.59 137.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 39.1 t -135.71 131.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -141.74 138.19 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 27.3 m-85 -106.75 112.91 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.2 156.58 23.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.71 131.45 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.91 122.12 29.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.25 120.45 15.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.0 mt -110.76 -39.23 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 103.77 -168.09 16.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.68 34.66 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ALA . 9.9 m-80 60.72 37.5 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.6 mttt -133.4 150.67 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.0 m -149.91 147.77 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.367 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -93.54 126.16 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 1.9 t80 -115.65 128.88 56.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.5 m -131.11 105.26 7.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tp -88.73 125.58 34.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.25 127.57 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -129.29 113.82 15.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.44 -166.41 10.74 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.148 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.69 -34.31 2.04 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -57.83 176.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -123.38 -49.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 149.81 25.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.63 15.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.48 -47.28 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.54 166.77 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.65 154.49 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -51.23 118.25 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.465 ' OG ' ' CD2' ' A' ' 104' ' ' TRP . 32.1 t -47.68 -53.97 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 1.1 p -43.42 -34.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.8 mt -79.2 -48.03 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.7 mm -58.93 -50.16 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.86 -25.16 67.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -42.96 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -50.35 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -43.75 82.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.486 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 16.2 t -59.09 -53.13 61.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -45.17 52.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.65 62.44 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.494 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 13.2 m95 -66.76 -38.25 86.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 126' ' ' SER . 87.2 t -57.99 -55.03 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -64.5 -51.25 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.69 -36.11 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 19.7 t -73.89 -29.02 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -115.61 36.99 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.8 mm-40 -140.58 -79.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 139' ' ' LYS . 0.8 OUTLIER -72.31 -69.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.559 HD23 ' CH2' ' A' ' 36' ' ' TRP . 24.9 tp -36.6 -52.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 1.7 tppt? -50.64 -52.69 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -65.26 -37.07 86.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.87 -55.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.08 -57.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -49.62 -36.94 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -121.93 176.0 6.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -89.64 129.57 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 122' ' ' ARG . 8.8 mt -60.45 83.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ASP . 7.9 tttt -89.43 144.83 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 33.1 mt-30 -145.81 95.56 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -90.71 122.06 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 16' ' ' PHE . 16.8 tt -147.11 154.56 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.87 126.92 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 14' ' ' ILE . 20.6 m-85 -116.55 149.81 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -79.65 77.35 6.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' CB ' ' HE2' ' A' ' 22' ' ' LYS . . . -163.85 -172.92 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -110.38 164.01 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.35 -37.73 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -67.94 -30.32 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HE2' ' CB ' ' A' ' 18' ' ' ALA . 9.5 ttpt -78.49 -58.1 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' CD2' ' A' ' 87' ' ' LEU . 70.1 t -50.98 -36.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 35.3 t-105 -57.52 -43.75 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 29' ' ' THR . 0.9 OUTLIER -57.08 -35.9 69.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.32 -16.91 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -126.37 38.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.6 p -165.21 31.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 25' ' ' SER . 4.7 p -130.04 155.76 45.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.6 -45.81 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -41.8 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.84 -52.92 45.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.564 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 16.2 mt -58.81 -46.57 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.21 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 14.96 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.586 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 5.5 p-90 -177.4 45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.408 ' O ' ' SD ' ' A' ' 38' ' ' MET . 82.6 t80 -170.96 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER 167.7 165.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.06 5.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -161.64 -171.77 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -123.67 67.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -39.41 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.7 p -150.64 113.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 74.03 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -152.15 128.36 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.21 132.49 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.25 1.71 90.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.4 t60 -98.24 140.02 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.07 160.33 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.7 p90 -136.74 135.51 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -81.99 144.01 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 59' ' ' SER . 3.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 4.0 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.71 3.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 57.6 m -146.21 145.6 30.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.62 123.35 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.95 137.59 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.28 -56.9 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -134.41 157.23 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 82.7 mt -133.99 131.68 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.0 m-20 -166.79 77.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.4 tt0 -46.74 -50.75 41.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.81 -72.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.37 -171.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.16 169.74 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.37 150.6 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 29.7 p90 -155.06 145.11 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.5 p -97.35 151.56 19.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -100.45 114.06 27.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 107.974 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 49.9 m-20 -70.76 178.17 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.1 m 38.11 34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -163.7 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.08 38.61 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' TRP . 10.8 m0 -110.69 143.59 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.79 129.15 75.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.565 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 52.6 t -129.01 127.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.6 p -135.87 129.12 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CE1' HD11 ' A' ' 99' ' ' LEU . 10.6 m-85 -108.06 114.14 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.47 157.62 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.407 ' CD2' HG13 ' A' ' 23' ' ' VAL . 3.8 mp -141.81 118.94 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -119.08 130.47 55.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.85 101.26 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 96' ' ' GLU . 39.8 mt -83.67 -44.35 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.42 -171.36 14.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 48.62 36.04 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 6.9 m-80 61.53 36.24 17.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.5 mtmt -133.06 144.36 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -141.29 141.78 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' CB ' HD13 ' A' ' 90' ' ' LEU . 1.6 tt0 -86.4 111.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -97.6 119.11 35.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -125.14 105.37 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mp -128.38 129.27 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.9 OUTLIER -130.87 106.74 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.36 -166.73 21.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.24 -29.44 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CE3' HD11 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -95.16 168.71 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -135.86 -70.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -98.05 148.42 34.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.8 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.12 -39.0 89.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 146.46 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 20.1 mm -120.25 167.3 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.546 HD11 ' CE3' ' A' ' 104' ' ' TRP . 1.4 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mttp -50.32 117.05 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.424 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 7.6 p -46.75 -29.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 p -68.21 -38.82 82.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.9 mt -61.25 -48.87 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.2 mm -63.17 -45.91 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 10' ' ' ILE . 3.8 ttp180 -57.3 -49.09 77.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -65.04 -51.63 60.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -52.15 60.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.66 -46.45 89.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.8 t -58.62 -48.59 80.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.57 -62.14 5.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.63 -27.49 68.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -70.2 -41.25 73.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.11 -53.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -61.9 -52.24 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.11 -40.9 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.08 -31.68 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -116.0 41.24 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.1 mm-40 -144.42 -53.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 137' ' ' LEU . 24.7 mtmt -105.07 -57.43 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.568 HD23 ' CH2' ' A' ' 36' ' ' TRP . 1.1 tm? -38.19 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.88 -54.53 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.6 OUTLIER -47.41 -46.32 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.34 -55.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.96 -57.23 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.65 -36.16 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -52.14 163.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.13 139.02 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -70.49 88.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -84.9 152.57 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.535 HE22 ' N ' ' A' ' 130' ' ' VAL . 61.1 mt-30 -153.15 78.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 m -79.38 119.43 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 tt -148.18 152.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.88 131.57 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -112.9 153.32 28.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.59 64.73 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' CA ' ' A' ' 94' ' ' LYS . . . -155.22 -174.69 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -106.39 149.76 26.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -47.26 -43.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.34 -32.55 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.4 ttpp -75.31 -52.85 9.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.32 -40.86 76.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 30.3 t-105 -60.09 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -32.1 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -77.94 -5.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.7 48.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -175.32 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 p -148.27 -175.81 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -105.85 -39.55 6.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -42.34 20.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.55 -48.79 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.96 -51.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -57.46 -18.52 18.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -12.76 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' PHE . 18.0 p-90 -148.2 -66.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' MET . 13.2 t80 -33.1 -68.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 160.17 172.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -160.06 -176.42 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.62 59.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -42.32 150.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.542 HG23 ' CD2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -139.53 136.84 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -96.06 65.44 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 3.1 mm-40 -142.14 138.99 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.48 134.99 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.25 58.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.542 ' CD2' HG23 ' A' ' 43' ' ' VAL . 3.1 t60 -101.66 82.66 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 156.46 37.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.4 p90 -152.03 -171.46 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -110.51 150.46 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 40' ' ' ASN . 61.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.29 10.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 3.4 m -137.84 170.43 16.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -147.48 114.79 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.444 ' CG1' HG13 ' A' ' 66' ' ' ILE . 45.1 t -65.93 130.94 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -98.6 -57.19 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.85 149.32 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG13 ' CG1' ' A' ' 63' ' ' VAL . 35.2 mt -137.96 114.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.09 80.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -45.07 -50.93 25.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.1 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 168.06 -74.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.71 -166.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.14 169.46 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.0 155.1 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -157.07 153.85 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 p -99.8 164.56 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -119.7 113.83 21.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.64 172.34 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m 44.17 42.34 4.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -163.15 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.98 36.82 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.551 ' CZ3' ' HE1' ' A' ' 125' ' ' MET . 9.7 m0 -119.05 176.37 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.1 131.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 77.1 t -117.28 125.51 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.6 t -128.45 125.09 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -98.86 169.66 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -145.44 151.75 38.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 86' ' ' ASP . 5.4 mp -145.38 137.62 25.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.62 124.18 26.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.91 95.39 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 mt -84.75 -45.88 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 113.33 -169.72 13.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 48.66 35.03 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 17.5 m-80 61.82 35.29 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mttp -131.34 151.35 51.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 96' ' ' GLU . 1.5 m -147.04 141.44 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 95' ' ' THR . 2.4 tt0 -84.23 113.15 20.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -103.98 125.58 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 m -131.78 108.6 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 129.83 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mp -127.8 131.69 69.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.504 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.4 OUTLIER -128.78 139.81 52.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.625 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -158.06 174.84 35.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.89 -26.66 0.64 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 6.7 m95 -70.9 -164.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 -79.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -114.41 140.18 24.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 -41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.47 152.71 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 111' ' ' LEU . 2.5 mt -109.98 157.85 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.561 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.19 133.24 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 95.4 p -59.23 -47.01 86.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.9 p -61.33 -38.6 87.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 13.0 mt -61.45 -50.71 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.26 -42.99 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -44.04 73.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.99 -50.09 31.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.58 -52.26 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.551 ' HE1' ' CZ3' ' A' ' 81' ' ' TRP . 4.2 mmt -58.75 -29.95 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -72.57 -52.77 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.08 -36.54 28.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.65 -37.03 12.42 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 125' ' ' MET . 7.6 m95 -65.04 -50.42 66.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.535 ' N ' HE22 ' A' ' 12' ' ' GLN . 40.6 t -55.62 -43.96 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.77 -52.43 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -38.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.09 -33.21 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -116.81 42.76 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.4 mm-40 -142.78 -58.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 137' ' ' LEU . 14.8 mttm -100.86 -65.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -37.33 -57.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -48.86 -55.75 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.09 -40.43 76.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.03 -54.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.28 -57.16 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -55.73 -20.89 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.72 166.65 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -100.55 124.87 46.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.32 85.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 9' ' ' ASP . 12.0 ttmt -90.49 132.97 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' A' ' 129' ' ' TRP . 2.3 mt-30 -128.54 82.61 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.5 m -81.22 120.13 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.485 HD12 ' CE1' ' A' ' 16' ' ' PHE . 6.4 tt -151.04 155.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.37 135.77 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 137' ' ' LEU . 58.2 m-85 -122.42 160.11 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.91 74.73 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.78 -175.26 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -114.04 150.4 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -46.23 -32.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -68.8 -48.64 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -54.09 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.02 -35.1 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 28.1 t-105 -66.47 -49.77 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.57 -31.95 62.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 t -74.74 -8.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.68 43.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -165.65 39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 5.6 p -145.49 -176.04 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -102.12 -41.46 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -44.04 19.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.02 -51.49 45.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.86 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.81 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -77.08 -2.52 34.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 14.3 p-90 -174.72 65.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' MET . 3.5 t80 179.01 -64.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 161.39 166.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' HD21 ' A' ' 40' ' ' ASN . 0.4 OUTLIER -162.43 176.88 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -114.88 66.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 29' ' ' THR . 54.5 t80 -37.64 151.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 50' ' ' PHE . 1.2 p -147.36 119.07 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 tp -85.28 76.08 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -148.69 133.68 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.79 135.41 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.44 16.42 65.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.06 116.38 31.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.634 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.54 157.16 17.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -131.0 171.09 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 144.49 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -75.02 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -128.43 147.61 50.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -129.78 107.05 9.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.453 HG11 ' CG1' ' A' ' 66' ' ' ILE . 80.2 t -55.83 125.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -90.56 -55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.25 152.33 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.453 ' CG1' HG11 ' A' ' 63' ' ' VAL . 60.3 mt -131.43 132.5 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.69 75.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -44.81 -50.99 23.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.28 3.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.562 1.822 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.8 -73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 179.43 -173.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.3 152.18 27.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -125.85 160.05 30.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 43.1 p90 -155.75 145.35 21.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 p -89.96 155.51 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.88 138.68 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.447 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -79.55 -178.98 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 33.0 p 37.07 45.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' THR . 1.5 m-20 156.35 110.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.93 53.22 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CZ2' ' CH2' ' A' ' 104' ' ' TRP . 10.1 m0 -117.29 134.47 54.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.05 146.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 101' ' ' HIS . 98.1 t -135.74 121.55 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 p -134.63 146.89 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CE1' HG13 ' A' ' 83' ' ' VAL . 5.8 m-85 -119.88 112.83 19.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.99 149.62 26.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.49 141.35 51.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -129.72 132.04 46.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -83.65 102.72 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 96' ' ' GLU . 84.4 mt -93.68 -45.1 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 106.71 -169.53 15.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 47.96 35.76 5.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.4 m120 61.72 35.63 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.1 mtmm -132.03 148.48 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 96' ' ' GLU . 1.2 m -149.3 142.18 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' N ' HG21 ' A' ' 95' ' ' THR . 0.2 OUTLIER -89.02 121.64 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -105.7 132.4 51.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -132.31 107.27 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 tt -90.52 119.44 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -122.01 117.18 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.416 ' CD2' HG21 ' A' ' 83' ' ' VAL . 1.3 t-80 -125.8 108.3 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -131.82 -156.25 8.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.48 -33.9 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.562 ' CH2' ' CZ2' ' A' ' 81' ' ' TRP . 10.0 m95 -55.91 176.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 -67.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 7.0 m170 -127.89 140.86 39.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 109' ' ' GLU . 18.3 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -26.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -102.04 154.06 19.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.1 mm -101.01 155.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 117.08 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.546 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.0 p -50.88 -44.27 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 12.6 p -48.23 -30.22 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.7 mt -80.8 -48.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 mp -54.56 -50.53 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.17 -29.19 70.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.41 -46.89 46.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.85 -50.28 71.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -63.73 -44.98 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.1 t -51.39 -52.95 41.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.16 -40.61 67.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.78 49.35 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.485 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 2.5 m95 -68.53 -41.2 80.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.03 -47.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.51 -51.66 40.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.74 -35.28 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 15.0 t -71.73 -29.11 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -117.23 37.97 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.6 mm-40 -140.69 -53.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 137' ' ' LEU . 30.4 mtmt -101.39 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 16' ' ' PHE . 2.3 tm? -36.83 -55.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -52.17 -54.39 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.97 -34.98 70.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 38.3 t -64.49 -54.48 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.28 -57.18 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -36.71 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CZ ' ' A' ' 122' ' ' ARG . 7.1 m120 -121.72 173.57 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.16 134.99 37.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -66.01 84.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -83.21 139.29 33.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' NE2' HG23 ' A' ' 130' ' ' VAL . 35.6 mt-30 -137.23 86.74 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 m -88.28 121.16 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.53 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 8.8 tt -149.17 153.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.5 t -110.14 121.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 35.0 m-85 -110.81 150.59 28.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -79.46 75.95 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.93 178.61 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LYS . 7.3 m -105.28 152.16 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -42.81 -62.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -29.13 22.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -71.15 -55.79 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.89 -35.13 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.0 t-105 -59.46 -48.86 80.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -54.31 -30.86 52.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.46 -7.22 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -138.49 47.67 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -173.07 34.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -141.0 179.56 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 -44.77 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -41.85 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.07 -53.52 36.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 80.6 mt -64.48 -46.18 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.98 -19.9 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.76 9.72 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 5.1 p-90 -176.22 54.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 25.3 t80 -178.79 -70.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 170.39 160.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.28 5.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.405 HD21 ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -161.58 -178.46 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.99 78.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -53.81 161.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.2 p -150.12 121.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.56 65.61 9.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.2 mm-40 -141.11 134.38 29.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.54 141.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.17 24.94 10.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.3 t60 -103.61 72.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 149.81 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -138.69 -177.54 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -105.01 149.39 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.608 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 38' ' ' MET . 95.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 141.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 21.3 m -102.75 161.99 13.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 108.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -141.22 116.0 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.4 135.06 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.57 -56.48 2.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -132.31 146.58 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.9 127.36 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.78 74.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tt0 -44.83 -50.13 26.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.03 54.42 3.65 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.37 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 177.64 -171.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.635 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.91 166.36 33.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 155.88 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 31.9 p90 -156.45 150.98 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 p -95.79 160.04 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -121.64 127.37 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -70.68 178.15 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 82.4 p 37.01 50.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 78' ' ' THR . 3.2 m-20 156.36 110.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.9 53.23 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.417 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 16.1 m0 -118.04 157.54 26.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.85 136.97 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.5 t -124.78 128.87 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -137.39 145.92 43.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -119.2 112.99 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.34 151.55 22.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mp -132.86 146.02 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -141.0 115.76 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -72.57 122.34 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -109.8 -44.02 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 118.61 -170.46 13.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 49.97 30.93 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 m120 64.76 33.55 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLY . 11.4 mttp -128.44 150.51 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -149.11 142.78 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.97 120.77 28.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -105.59 125.5 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.0 m -128.22 106.52 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.1 134.06 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.7 127.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.491 ' CE1' ' SD ' ' A' ' 125' ' ' MET . 5.2 t-80 -131.73 111.74 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.71 -163.92 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 -26.99 2.75 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.414 ' CE3' HD12 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -87.54 -176.9 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -139.05 -70.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -104.58 150.67 38.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -49.98 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.56 145.18 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 31.1 mm -118.61 158.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.414 HD12 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 22.3 mttp -51.74 117.15 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -50.49 -26.73 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 p -77.78 -48.19 17.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -55.22 -45.25 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.5 mm -67.33 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -52.03 -50.91 60.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.66 -49.0 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.88 -52.83 59.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -71.13 -35.08 71.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 12.4 t -62.12 -53.39 56.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.13 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.8 8.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.487 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 6.2 m95 -74.07 -39.37 63.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.407 HG23 ' NE2' ' A' ' 12' ' ' GLN . 27.4 t -60.42 -55.15 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -60.62 -52.26 65.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.0 mt -55.38 -36.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 4.8 t -67.72 -33.39 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -116.37 41.16 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.9 mm-40 -141.64 -52.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.1 mtmm -108.68 -62.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.571 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 3.3 tm? -36.49 -59.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 45.4 tttm -54.56 -56.65 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -50.71 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.3 t -52.88 -55.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.84 -57.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -49.43 -46.08 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -179.97 163.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.13 163.62 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 150.43 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.35 162.06 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 56.23 175.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 104' ' ' TRP . 23.1 mt -93.24 121.83 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.86 145.98 46.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 m-20 -79.92 113.63 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.8 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' ASP . 10.9 ttmt -104.41 132.61 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.27 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -84.71 119.57 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.5 tt -147.56 153.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.0 t -114.06 118.76 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -105.45 164.33 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -91.24 71.66 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.5 -179.35 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -105.11 159.14 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -55.35 -30.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -70.14 -44.74 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -70.13 -51.99 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG13 ' CD2' ' A' ' 87' ' ' LEU . 49.5 t -54.48 -35.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.7 t-105 -68.84 -43.64 75.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 t -53.85 -30.65 46.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG12 ' A' ' 140' ' ' VAL . 69.7 t -76.13 -19.96 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.4 51.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 p -169.88 31.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -140.91 -178.13 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.1 -41.49 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -41.8 26.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.66 -48.95 82.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.22 -47.6 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.27 -20.43 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.49 2.33 22.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.576 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 29.2 p-90 -173.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 108.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.1 t80 179.56 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.59 158.74 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.8 5.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.68 172.66 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.63 72.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -43.01 148.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -138.92 114.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 tp -80.97 74.43 7.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 3.8 mt-10 -143.99 144.58 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.44 130.57 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.6 70.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.484 ' CG ' HG23 ' A' ' 43' ' ' VAL . 1.5 t60 -91.64 126.9 36.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.9 148.5 36.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.3 p90 -140.32 -172.41 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 57.4 m80 -135.57 138.01 42.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 m -106.05 168.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -113.18 101.29 9.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.48 148.14 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.21 32.85 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.93 154.2 26.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.08 25.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.86 96.54 14.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HB3' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.05 166.73 28.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 81.0 m -139.08 169.25 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -145.11 114.71 7.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.04 140.72 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.2 mt -105.47 -55.32 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.05 150.26 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.6 mt -129.57 123.81 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -157.1 77.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.08 -51.39 23.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.77 -73.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.46 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.75 167.16 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.7 148.85 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 42.0 p90 -156.87 145.09 19.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -91.13 166.14 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -119.92 113.55 20.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.021 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.08 178.6 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m 40.32 38.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -167.88 -61.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.51 55.68 1.32 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.419 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 18.1 m0 -136.23 169.55 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.58 134.5 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.578 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 79.8 t -129.99 116.34 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.0 130.02 52.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 13.7 m-85 -107.77 112.44 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.56 154.93 20.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD2' HG13 ' A' ' 23' ' ' VAL . 5.7 mp -139.32 139.34 37.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -132.0 126.39 33.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.14 108.03 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.31 -45.33 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.38 -170.08 14.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.04 27.83 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 0.81 . . . . 0.0 109.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 69.2 31.73 3.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mttp -128.23 151.58 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -150.17 145.13 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -90.18 124.37 34.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.447 ' CE2' HD21 ' A' ' 137' ' ' LEU . 1.6 t80 -107.26 128.86 54.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.412 ' CG2' ' HE2' ' A' ' 11' ' ' LYS . 71.1 m -132.05 105.96 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -88.77 117.35 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -114.19 114.69 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 81' ' ' TRP . 8.7 t-160 -132.65 113.36 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.88 -138.87 6.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.42 -52.69 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 118' ' ' SER . 0.0 OUTLIER -100.15 170.59 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -70.62 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.72 140.86 26.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 93.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.23 -45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.7 161.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -138.84 142.64 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.01 159.59 28.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.1 176.23 10.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.1 -71.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' PRO . . . -63.6 -54.47 35.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 t30 53.77 83.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -173.95 156.78 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 27.8 mttt -50.74 125.44 13.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 5.0 p -56.41 -33.7 66.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -68.19 -26.69 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.52 -49.98 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.458 ' HB ' ' CZ2' ' A' ' 104' ' ' TRP . 4.7 mp -63.68 -37.11 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -55.21 -46.83 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -73.03 -46.85 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.59 -52.37 63.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 1.5 tpt -67.89 -45.02 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 15.7 t -55.14 -52.77 62.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.03 -62.72 5.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -54.83 -33.09 55.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.481 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 9.9 m95 -71.74 -42.11 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.7 t -56.82 -51.31 69.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.09 -52.41 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.9 mt -54.54 -40.64 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 46.2 t -66.5 -28.91 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -120.24 40.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.54 -76.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 140' ' ' VAL . 1.7 mttp -83.27 -59.24 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.447 HD21 ' CE2' ' A' ' 97' ' ' PHE . 31.4 tp -39.76 -60.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -48.59 -42.59 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -69.86 -29.25 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 99.5 t -71.35 -54.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.6 t -63.54 -54.03 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -51.05 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.469 0.176 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.74 56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 57.92 165.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -121.83 151.19 40.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.417 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.1 m120 -139.85 164.32 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 5' ' ' ASN . 20.8 p 46.67 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 2.6 mt -79.06 118.52 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -42.13 154.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.3 m-20 -90.16 126.26 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.24 85.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -92.43 132.69 36.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -133.22 79.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -78.54 123.38 27.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.46 HG22 ' CE2' ' A' ' 16' ' ' PHE . 17.2 tt -147.53 152.81 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -113.0 126.4 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE2' HG22 ' A' ' 14' ' ' ILE . 63.3 m-85 -113.35 164.67 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.0 63.08 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.55 -178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -106.33 153.29 22.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.009 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.25 -33.28 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -71.93 -35.74 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 141' ' ' VAL . 7.0 ttpt -74.79 -55.77 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.65 -38.36 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 17.9 t-105 -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -32.23 60.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.66 -12.5 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 47.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -172.46 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -145.86 174.8 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.04 -45.63 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -39.49 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.34 -53.26 44.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.481 HG23 ' CB ' ' A' ' 37' ' ' PHE . 97.3 mt -66.42 -46.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.01 -20.13 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 t -75.18 -3.57 33.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CH2' HD21 ' A' ' 137' ' ' LEU . 11.3 p-90 -171.84 65.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' MET . 2.4 t80 178.04 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 163.16 158.99 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.6 8.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 2.9 p30 -163.18 -170.11 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.95 59.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 86.4 t80 -37.5 141.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.44 125.72 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.64 69.27 9.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -143.44 129.52 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' HD11 ' A' ' 66' ' ' ILE . 90.8 t -59.71 140.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.03 30.41 7.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 1.9 t60 -106.93 67.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 153.23 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -144.13 -173.55 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.44 144.16 41.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 53' ' ' GLN . 55.3 t -130.58 163.76 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 5.1 tp-100 -118.38 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.58 162.28 45.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.61 7.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -85.62 -58.98 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.17 178.32 38.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.58 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.548 1.814 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.1 p -136.77 96.68 11.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.95 42.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 63.0 m -125.73 160.12 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -139.33 116.65 11.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.41 143.91 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.82 -56.59 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 46' ' ' VAL . 22.2 mt -124.43 128.41 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.58 75.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.95 -50.63 25.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.58 -74.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -177.84 -164.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.39 167.01 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.47 151.22 50.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 14.3 p90 -156.85 142.56 17.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 p -88.68 164.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -125.1 122.3 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -76.85 -177.46 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.411 ' HA ' ' CD ' ' A' ' 113' ' ' LYS . 25.7 p 38.78 32.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -158.31 -69.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.02 -22.61 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.528 ' CZ2' ' HB1' ' A' ' 114' ' ' ALA . 4.9 m0 -66.69 166.87 12.17 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -129.62 134.82 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.2 t -119.05 119.03 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 m -134.28 143.01 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -110.2 171.71 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.46 153.66 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.17 137.8 36.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -131.05 120.41 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.87 109.66 8.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.83 -39.2 7.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.34 -168.24 12.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 49.2 33.76 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 60.29 33.36 20.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.4 mtmm -124.71 159.66 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -156.3 147.32 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -91.58 115.03 27.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.437 ' CE2' HD23 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -100.88 125.89 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 69.3 m -132.57 109.13 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.91 127.76 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.4 118.75 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -128.15 121.34 29.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.585 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.31 -162.59 9.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.8 -37.68 1.33 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CE3' HD11 ' A' ' 111' ' ' LEU . 5.3 m95 -53.46 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -133.69 -49.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.1 m170 -143.43 137.4 14.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 93.67 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.95 -35.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.53 140.04 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mm -96.93 130.24 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.561 HD11 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -72.22 143.69 86.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -84.01 55.12 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.528 ' HB1' ' CZ2' ' A' ' 81' ' ' TRP . . . 175.67 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.89 -174.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 69.38 148.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.41 120.76 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.555 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 62.8 m -51.11 -57.77 7.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.7 p -45.74 -40.91 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.37 -46.24 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.4 -47.83 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -51.37 -46.57 62.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -64.66 -52.18 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -54.48 -52.0 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.62 66.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.2 t -52.43 -50.06 63.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -58.82 9.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.94 -36.22 93.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 129' ' ' TRP . 2.3 m95 -63.84 -39.75 94.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -66.27 -36.49 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -75.09 -51.26 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 87.7 mt -55.22 -43.13 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.01 -31.05 51.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.448 ' OD1' ' CD1' ' A' ' 14' ' ' ILE . 9.2 m-80 -113.43 36.52 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.4 mm-40 -141.89 -74.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 140' ' ' VAL . 2.4 mttp -80.6 -65.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.566 HD21 ' CH2' ' A' ' 36' ' ' TRP . 8.9 tp -38.78 -54.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -49.4 -48.47 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.6 -29.09 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 62.4 t -69.04 -55.16 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.452 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . 1.4 t -66.36 -56.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.67 -31.83 66.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.503 0.192 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.66 169.61 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.96 145.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.49 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -150.03 161.18 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.14 173.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.5 mt -96.07 159.41 14.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.75 172.06 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -92.97 122.32 35.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 ' CG1' ' HG2' ' A' ' 122' ' ' ARG . 35.9 mt -57.69 89.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -93.72 133.38 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -130.6 88.24 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.6 m -88.2 119.48 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 1.9 tt -145.06 151.25 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' ILE . 52.2 t -105.61 141.18 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 11.4 m-85 -125.11 156.63 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -89.77 67.06 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.76 178.22 8.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -97.42 156.9 16.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -54.28 -38.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -63.64 -32.18 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -47.85 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.31 -35.92 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 26.9 t-105 -61.33 -46.44 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 108.035 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -54.62 -31.56 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.13 -9.18 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 47.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.5 p -169.04 35.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -147.9 175.74 10.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 110.452 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -42.67 7.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -42.95 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.8 -47.81 83.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -71.33 -43.44 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.81 -20.67 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -75.74 -4.8 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 137' ' ' LEU . 23.6 p-90 -168.83 64.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' MET . 45.5 t80 -179.49 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 165.14 166.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -169.62 175.4 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -115.59 75.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -43.28 154.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.571 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.04 133.25 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.98 69.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 25.7 mt-10 -146.52 130.41 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.16 136.64 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.65 18.36 51.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.3 t60 -103.71 97.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.06 151.0 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -129.44 -171.87 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.94 136.13 49.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 3.1 m -120.92 166.69 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -103.58 117.51 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.53 156.37 47.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.97 20.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -138.39 70.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.43 158.04 16.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -124.71 96.75 40.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.56 38.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 6.7 m -137.77 130.46 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -106.36 117.28 33.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 66' ' ' ILE . 48.5 t -59.49 129.17 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.6 mt -91.79 -55.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -136.65 150.3 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 63' ' ' VAL . 67.8 mt -133.09 114.92 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.1 m-20 -146.59 79.05 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.2 -51.08 26.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.243 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.5 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 167.62 -72.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.78 -178.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.36 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 150.88 52.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 48.5 p90 -155.8 148.1 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -96.32 159.9 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -116.45 115.04 25.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.96 -178.46 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.3 p 42.95 28.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CZ3' ' A' ' 81' ' ' TRP . 2.4 m-20 -165.46 -54.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 20.21 39.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.507 ' CZ3' ' OD2' ' A' ' 79' ' ' ASP . 17.4 m0 -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.7 134.84 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 84.4 t -136.21 135.94 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -144.95 132.55 20.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.88 112.64 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.7 157.28 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mp -141.77 133.53 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -131.4 125.31 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -84.4 110.76 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.42 -46.29 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 122.38 -169.02 14.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 53.96 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.65 27.44 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -118.42 159.21 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -149.61 141.57 23.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.56 107.29 19.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.567 ' CE2' HD23 ' A' ' 137' ' ' LEU . 65.9 t80 -92.75 124.67 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.428 HG21 ' CD1' ' A' ' 100' ' ' ILE . 52.5 m -130.36 106.75 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 131.09 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.428 ' CD1' HG21 ' A' ' 98' ' ' THR . 3.3 mp -126.44 126.1 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -133.01 107.22 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.64 -166.1 13.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.03 -32.26 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.503 ' CZ2' ' CG2' ' A' ' 121' ' ' ILE . 2.2 m95 -82.87 154.67 24.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -73.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.447 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -100.01 145.95 31.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -29.03 8.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -54.44 10.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.447 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 3.8 pt-20 -50.14 155.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 15.3 mm -128.69 142.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.79 150.57 96.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -61.89 -75.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.07 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 23.5 t30 79.09 75.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -173.74 152.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 9.2 mttt -51.03 117.65 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 65.2 p -55.72 -43.18 76.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -45.09 83.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.6 mt -63.64 -46.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 104' ' ' TRP . 18.1 mm -61.88 -47.0 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.2 ttp180 -50.76 -45.74 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -47.93 46.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -52.23 63.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -29.87 67.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 16.5 t -71.64 -52.82 16.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.93 -48.56 51.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.07 88.64 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.497 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 6.3 m95 -59.93 -44.51 94.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.14 -54.74 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -62.31 -52.58 63.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 62.0 mt -54.07 -35.32 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 20.8 t -69.82 -33.98 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -115.71 43.72 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.2 mm-40 -143.67 -63.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' LEU . 11.4 mttm -95.89 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.567 HD23 ' CE2' ' A' ' 97' ' ' PHE . 5.9 tp -38.45 -48.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -59.02 -53.98 52.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 136' ' ' LYS . 69.3 t -69.0 -55.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.11 -55.18 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.86 -39.37 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.48 0.181 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.39 -167.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -148.05 124.07 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -69.72 124.16 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -154.45 136.7 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 61.15 174.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.1 mt -93.99 -179.07 4.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -118.41 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.7 m-20 -116.18 105.99 13.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -42.75 98.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -101.24 137.3 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.51 85.33 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 m -87.35 119.74 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 16' ' ' PHE . 4.6 tt -150.56 151.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.72 126.33 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CE2' HD12 ' A' ' 137' ' ' LEU . 41.9 m-85 -114.52 156.56 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.73 76.52 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -165.35 176.43 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -100.34 158.77 15.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 tt -57.36 -33.65 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -68.83 -37.67 79.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -55.17 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.74 -35.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 41.9 t-105 -62.74 -45.17 93.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -58.51 -31.48 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 140' ' ' VAL . 73.9 t -76.64 -15.51 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.96 47.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.5 p -167.27 31.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -153.26 160.17 42.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.18 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.91 49.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.86 -49.71 57.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' CB ' ' A' ' 37' ' ' PHE . 55.0 mt -63.63 -43.6 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.48 46.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -78.79 0.1 28.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CZ2' HD22 ' A' ' 137' ' ' LEU . 27.4 p-90 -176.07 63.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' MET . 66.1 t80 -179.16 -64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 162.28 167.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.15 -176.27 5.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.84 -19.46 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 51.96 173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 50' ' ' PHE . 3.9 p -167.93 128.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -95.26 74.67 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 35.2 mt-10 -149.47 150.45 32.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.4 ' N ' HD11 ' A' ' 66' ' ' ILE . 42.6 t -77.11 134.01 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.65 24.38 52.85 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.499 ' CD2' HG22 ' A' ' 43' ' ' VAL . 3.8 t60 -99.86 107.78 19.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.584 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.67 141.61 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -125.86 -174.54 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.7 139.42 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.7 t -133.09 152.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -110.75 130.94 55.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.9 154.48 81.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.2 3.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.11 -64.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.5 174.94 34.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.01 4.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.64 96.74 29.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.13 7.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 1.7 m -143.59 153.75 42.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 122.62 18.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.75 147.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -108.95 -55.11 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -131.65 144.08 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.4 HD11 ' N ' ' A' ' 46' ' ' VAL . 73.0 mt -125.26 127.75 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.4 m-20 -160.63 76.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.9 tt0 -44.74 -51.17 22.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 53.91 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 -71.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 177.11 -172.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.51 158.66 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 154.0 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 22.7 p90 -154.8 158.48 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -107.21 168.26 9.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -120.78 119.3 32.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.001 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.4 174.17 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m 39.71 36.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -160.36 -76.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.59 38.27 1.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -118.01 143.2 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.34 131.13 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 65.6 t -126.56 129.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 132.58 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.459 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 9.9 m-85 -111.9 112.67 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.15 156.95 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mp -139.93 138.34 35.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 90' ' ' LEU . 1.6 ttmm -134.2 131.65 38.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.12 116.61 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' CD2' ' HD2' ' A' ' 88' ' ' LYS . 31.9 mt -104.23 -45.44 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.13 -170.33 13.22 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.62 27.89 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 68.27 30.11 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 91' ' ' GLY . 25.7 mttm -122.97 152.16 41.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -149.37 140.13 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -83.5 120.14 25.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -105.54 120.9 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -125.47 109.79 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 85' ' ' PHE . 8.8 tt -89.48 115.84 27.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.75 114.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.1 t-160 -124.46 113.54 18.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.74 -155.59 7.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.99 -24.78 5.64 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 118' ' ' SER . 6.0 m95 -75.81 -171.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -144.43 -92.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.67 144.41 30.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.641 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.22 21.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -83.18 -60.81 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -49.98 164.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 7.6 mm -131.54 141.55 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 156.38 91.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -73.23 -71.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.86 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 4.8 t30 79.26 178.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.75 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 19.6 mttt -52.09 124.23 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 2.5 t -54.53 -46.72 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 30.6 p -43.34 -35.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.21 -40.49 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' SER . 42.8 mm -64.99 -50.12 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -64.28 -25.41 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -49.52 25.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -45.91 75.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -44.83 95.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 45.5 t -63.35 -51.26 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -48.93 -40.96 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.69 -42.28 11.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.456 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 3.9 m95 -57.23 -40.3 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.76 -46.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -69.72 -52.11 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.71 -38.52 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 19.6 t -68.34 -29.77 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -116.7 37.22 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.6 mm-40 -141.05 -69.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 140' ' ' VAL . 9.6 mtmm -87.12 -57.12 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.55 HD22 ' CZ2' ' A' ' 36' ' ' TRP . 1.2 tm? -38.93 -58.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -56.83 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -52.24 -35.98 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 136' ' ' LYS . 21.7 t -66.19 -55.38 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.67 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.1 -28.25 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.46 0.171 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.59 124.65 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.92 165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -62.74 96.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -145.8 158.01 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -43.43 116.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -54.47 160.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.57 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.62 94.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.8 148.15 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 130' ' ' VAL . 59.4 mt-30 -148.99 83.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 m -82.4 121.21 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 16' ' ' PHE . 15.5 tt -143.14 153.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.73 122.72 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 14' ' ' ILE . 12.6 m-85 -110.9 163.13 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -92.94 70.08 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.24 -178.48 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -104.79 151.4 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 tt -47.96 -36.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -68.47 -41.96 79.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -57.52 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 87' ' ' LEU . 85.1 t -53.68 -40.51 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 34.5 t-105 -62.88 -44.37 96.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -32.43 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -76.75 -14.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 m -128.76 45.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.9 p -165.85 30.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 p -140.65 -178.85 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -43.88 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -45.55 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.17 -43.85 63.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.07 -55.0 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.31 -20.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -15.28 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' CE2' HD23 ' A' ' 137' ' ' LEU . 9.0 p-90 -143.87 -63.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' A' ' 38' ' ' MET . 46.2 t80 -46.97 -87.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.414 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -174.3 167.22 2.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.83 9.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.35 171.05 16.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -99.43 46.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASP . 89.8 t80 -34.44 136.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.33 136.36 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.49 67.37 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -144.31 136.85 26.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.417 ' N ' HD11 ' A' ' 66' ' ' ILE . 61.5 t -64.49 139.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.61 31.74 9.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 t60 -102.44 69.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.14 145.75 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.3 p90 -138.57 -174.52 3.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.18 145.99 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -133.01 155.12 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -108.19 117.66 34.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.53 151.44 67.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.58 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -113.59 51.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.01 158.87 34.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' OG ' ' OG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER -136.21 96.63 12.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.27 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 9.0 m -116.02 155.11 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -134.8 113.78 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 66' ' ' ILE . 48.5 t -61.39 138.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.42 -54.15 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.21 147.46 52.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.471 ' CG1' HG11 ' A' ' 63' ' ' VAL . 73.8 mt -131.12 125.71 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -157.1 78.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.98 -50.98 24.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.4 3.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.7 -73.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.77 -173.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.58 162.79 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.26 154.61 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 47.1 p90 -155.52 153.19 29.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 p -93.31 168.94 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -130.02 113.13 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASP . 2.0 m-20 -69.58 -176.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 70.6 p 37.6 33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.0 m-20 -166.09 -71.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 110.19 -3.17 29.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.453 ' NE1' ' CZ2' ' A' ' 104' ' ' TRP . 21.3 m0 -77.82 146.24 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.0 t -116.29 135.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 64.0 t -124.02 128.56 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 p -136.85 138.56 40.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.465 ' CE1' HG13 ' A' ' 83' ' ' VAL . 10.9 m-85 -115.19 112.69 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.64 153.15 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.435 HD21 ' CG1' ' A' ' 23' ' ' VAL . 5.3 mp -136.88 136.18 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -134.85 127.39 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -79.94 119.27 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.8 mt -108.71 -35.85 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 105.74 -169.37 15.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 47.87 35.12 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 60.17 36.69 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mtmt -130.74 147.32 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 m -148.16 144.01 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.19 120.18 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -109.24 117.41 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 m -124.15 109.28 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.26 130.9 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.92 120.39 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.507 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -121.64 116.29 24.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.5 -155.42 6.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.91 -23.36 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.688 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 33.6 m95 -64.24 -178.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -132.85 -61.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 147.18 43.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -32.89 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.0 149.02 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mm -108.92 154.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.688 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -83.76 158.31 62.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -75.63 -77.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . -39.37 -61.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 72.2 171.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.57 160.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -50.73 128.65 21.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.56 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 11.3 m -64.5 -39.81 94.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 p -54.33 -43.54 71.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.01 -46.5 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.3 mm -68.98 -39.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -54.59 -47.37 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -72.15 -48.76 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -50.91 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.4 tpt -69.86 -34.83 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -58.77 -53.83 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.32 -57.02 16.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.68 -40.42 48.27 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.471 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 17.7 m95 -67.91 -42.29 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.418 HG22 ' NE2' ' A' ' 12' ' ' GLN . 69.1 t -58.0 -47.01 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -70.48 -52.7 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.65 -34.73 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 12.2 t -70.67 -33.38 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -116.78 41.73 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.8 mm-40 -142.04 -57.08 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 137' ' ' LEU . 21.7 mtmt -108.01 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.522 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.7 tm? -35.96 -64.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' ' CE1' ' A' ' 16' ' ' PHE . 7.6 tttt -51.01 -49.34 60.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.38 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 136' ' ' LYS . 36.4 t -59.53 -55.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -44.58 63.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.938 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.535 0.207 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.81 173.64 12.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -162.23 -178.68 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -86.92 145.67 26.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.63 -162.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -57.69 145.96 32.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.84 130.46 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.73 169.12 6.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.87 145.98 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.43 84.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -85.29 136.74 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -133.4 79.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 tt -150.77 151.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.54 121.49 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -107.94 156.37 19.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -86.12 76.43 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.11 174.62 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.7 m -99.23 160.91 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 21' ' ' GLN . 2.4 tt -55.64 -43.34 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' N ' HG23 ' A' ' 20' ' ' ILE . 81.9 mm-40 -65.01 -32.41 74.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -75.55 -55.15 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 87' ' ' LEU . 51.7 t -56.04 -35.36 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.1 t-105 -65.55 -44.68 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -30.83 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.402 ' CG1' HG12 ' A' ' 140' ' ' VAL . 49.3 t -76.64 -15.22 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 3.3 m -131.34 52.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 p -166.39 30.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -141.69 163.79 31.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.53 -51.68 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -39.51 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.79 -42.43 68.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.48 -53.23 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.07 -20.31 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -50.59 -26.53 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.7 p-90 -132.9 -65.74 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' TRP . 42.0 t80 -34.7 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -175.49 168.75 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . 4.4 p30 -157.95 -163.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.42 69.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 21.0 t80 -48.0 163.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -158.07 121.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -86.22 76.1 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.9 mt-10 -149.92 134.74 17.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 t -73.83 128.2 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 9.0 87.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 2.1 t60 -91.41 127.44 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' 62' ' ' LYS . 12.9 mt-10 -106.31 169.36 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 11.2 p90 -168.73 -176.71 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -118.42 144.05 46.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 40' ' ' ASN . 8.8 m -133.89 168.46 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -95.4 94.74 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.99 156.62 57.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.51 7.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.74 30.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.41 -170.25 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 115.42 4.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 49.3 m -132.72 119.04 15.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -174.43 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 1.7 m -148.52 161.38 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -143.62 123.08 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 66' ' ' ILE . 84.3 t -70.68 135.77 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.03 -52.57 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.4 146.57 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG13 ' CG1' ' A' ' 63' ' ' VAL . 73.0 mt -130.94 114.96 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -146.13 83.79 1.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -48.5 -50.86 56.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.01 54.29 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 168.2 -73.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.94 -177.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.5 168.22 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.24 151.59 39.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 25.6 p90 -156.18 145.67 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.9 p -97.18 160.16 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.542 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -111.31 120.94 43.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.42 177.79 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m 38.3 34.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.45 -61.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.03 42.19 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -126.85 143.91 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.25 141.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 58.8 t -137.29 133.45 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.1 p -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 99' ' ' LEU . 2.4 m-85 -125.66 116.27 21.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.29 151.2 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 23' ' ' VAL . 3.4 mp -127.67 140.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -133.58 124.9 27.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.7 101.67 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.61 -48.01 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.41 -169.55 12.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 50.4 29.9 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.5 32.82 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' GLY . 26.0 mttt -128.95 155.57 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -153.74 141.44 19.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.3 115.19 21.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.58 126.99 48.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.7 m -132.05 110.41 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -96.63 121.76 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.27 122.25 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.464 ' CD2' HG22 ' A' ' 83' ' ' VAL . 8.5 t-160 -131.92 111.54 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.41 -144.41 4.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.59 -39.06 2.2 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 8.4 m95 -52.89 176.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -136.1 146.0 54.65 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.99 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.37 -24.14 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.67 150.82 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 27.5 mm -108.0 158.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.71 150.75 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.01 172.64 15.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 66.96 -72.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -64.26 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 6.1 t-20 82.37 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.98 154.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 12.7 mttp -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.612 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 54.6 p -52.92 -33.56 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.3 p -60.91 -40.04 91.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 10.7 mt -62.25 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.33 -45.23 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 122' ' ' ARG . 0.9 OUTLIER -55.63 -44.71 77.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.76 -53.14 44.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.35 -48.44 71.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 3.4 mmt -69.81 -47.83 61.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 41.4 t -52.11 -51.82 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.44 -62.29 6.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -53.83 -23.13 21.18 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.459 ' CD1' ' O ' ' A' ' 125' ' ' MET . 9.1 m95 -77.98 -46.06 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t -54.48 -34.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.9 -51.49 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.8 mt -54.84 -43.75 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.77 -28.6 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -116.59 36.74 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.3 mm-40 -141.57 -81.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' CG2' ' A' ' 140' ' ' VAL . 3.9 mttp -79.47 -56.37 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' LYS . 0.8 OUTLIER -37.74 -41.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 16.1 tttm -68.39 -55.74 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -26.71 57.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 136' ' ' LYS . 16.0 t -72.51 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.09 -56.26 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.08 -38.05 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 mtp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.561 0.219 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.98 54.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -128.23 172.56 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -156.32 141.94 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.79 176.85 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m 53.62 178.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.385 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.5 mt -83.2 118.38 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.35 168.3 18.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' LYS . 41.8 m-20 -92.65 133.18 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mt -62.36 84.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' ASP . 33.1 ttmt -89.36 138.26 31.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -137.5 90.93 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -85.04 119.0 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -146.91 153.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -109.52 127.6 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -109.66 143.88 38.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -78.95 62.36 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.17 -171.75 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -111.17 153.13 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -49.47 -48.97 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -56.21 -33.51 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -77.21 -57.44 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -53.49 -36.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.554 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 29.0 t-105 -61.75 -48.13 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -54.81 -30.92 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 137' ' ' LEU . 24.2 t -74.69 -11.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.56 46.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -163.57 29.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -144.59 174.13 11.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.28 -47.12 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -49.59 58.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -53.12 35.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG23 ' CB ' ' A' ' 37' ' ' PHE . 26.4 mt -63.48 -47.52 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.733 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.47 27.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -1.72 29.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 25.2 p-90 -172.21 63.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.026 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CB ' HG23 ' A' ' 33' ' ' ILE . 64.0 t80 -178.69 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.22 165.86 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 121.3 6.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.92 169.37 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -109.64 68.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -47.12 148.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -132.31 142.92 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.72 75.99 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' HD13 ' A' ' 66' ' ' ILE . 1.7 mt-10 -155.73 131.91 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' N ' HD11 ' A' ' 66' ' ' ILE . 70.2 t -64.67 130.41 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.5 2.23 87.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CG ' HG22 ' A' ' 43' ' ' VAL . 1.6 t60 -82.55 124.64 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.45 166.46 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 9.3 p90 -167.51 -178.02 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.93 159.75 35.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 2.4 m -132.86 146.7 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -92.66 125.49 37.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.04 146.8 62.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -179.35 -60.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.97 149.5 20.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.475 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 3.2 m -124.2 98.77 38.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.36 18.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -141.52 157.94 44.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -133.13 124.96 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.83 141.55 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.44 -56.89 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -140.69 149.26 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 46' ' ' VAL . 61.9 mt -128.69 124.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -157.02 77.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -45.74 -50.73 32.45 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.04 54.18 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.38 -73.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.54 -172.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.83 166.09 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.95 151.89 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 p90 -157.2 145.27 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.6 p -93.18 170.27 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.2 t90 -123.78 120.13 31.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -80.47 -179.63 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 39.64 32.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -162.78 -61.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.66 35.22 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' TRP . 22.1 m0 -111.74 161.47 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.37 140.54 48.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 99.1 t -134.47 126.6 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -140.06 134.2 31.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.584 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 6.6 m-85 -114.74 114.62 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -84.33 153.37 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mp -136.43 139.93 42.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -136.21 122.38 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.83 106.85 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 96' ' ' GLU . 94.4 mt -91.22 -46.41 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.19 -171.98 16.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 48.18 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 36.07 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.2 mtmt -133.14 149.02 52.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 96' ' ' GLU . 1.2 m -147.54 145.72 29.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' N ' HD13 ' A' ' 90' ' ' LEU . 2.5 tt0 -92.67 120.05 32.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.57 133.78 50.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.3 m -131.64 105.71 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -89.22 115.7 26.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mp -118.29 121.72 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -128.74 109.65 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.86 -159.41 9.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.2 -35.36 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.547 ' CE3' HD11 ' A' ' 111' ' ' LEU . 4.1 m95 -67.24 -169.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.86 -79.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.453 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -102.89 147.6 34.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -74.99 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.16 -48.21 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.33 152.25 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -125.67 149.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.547 HD11 ' CE3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -80.06 154.2 74.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -61.24 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . -40.0 -65.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.7 t30 71.75 72.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.13 153.14 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 9.8 mttt -51.43 118.26 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.536 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -60.03 -23.79 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 90.8 p -75.95 -35.61 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 97.4 mt -76.03 -42.49 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.84 -40.57 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.452 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -60.13 -49.25 78.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.73 -45.95 80.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -51.67 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.404 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -67.36 -44.19 79.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 37.1 t -63.18 -52.17 63.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.77 -52.98 23.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.25 75.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.404 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 4.5 m95 -78.33 -39.08 40.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.63 -43.05 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.49 -51.78 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.76 -40.05 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.7 t -66.83 -32.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -114.64 40.0 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.3 mm-40 -141.41 -73.25 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 139' ' ' LYS . 11.4 mtmm -81.01 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.417 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 10.6 tp -39.32 -52.7 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.66 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 136' ' ' LYS . 96.5 t -66.42 -55.27 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.11 -57.18 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.96 -39.11 73.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.508 0.194 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.78 -177.41 6.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.438 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 17.5 tt0 -41.33 136.16 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -68.53 143.25 54.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' GLN . 36.7 m-80 -162.05 166.16 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.86 171.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.5 mt -91.95 179.97 5.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -139.41 -170.58 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -102.07 114.48 28.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 mt -48.38 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASP . 31.1 ttmt -96.13 145.81 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -147.65 92.76 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.421 ' CG2' ' OE2' ' A' ' 96' ' ' GLU . 28.2 m -88.02 124.6 33.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.38 154.78 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.27 123.8 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -107.22 152.37 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.39 71.87 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.82 -173.68 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -110.01 158.92 17.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 3.2 tt -53.1 -39.77 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -58.79 -43.87 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -52.23 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.49 -35.78 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 37.1 t-105 -68.45 -50.39 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -34.3 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 137' ' ' LEU . 18.8 t -75.02 -22.49 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 m -120.35 45.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -165.6 31.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 p -142.18 -176.23 4.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -108.45 -35.35 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -42.67 20.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.73 -53.27 35.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 60.5 mt -60.51 -46.54 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -55.57 -20.43 13.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 8.36 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 9.8 p-90 -172.67 54.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -178.28 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 167.56 164.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.32 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 6.9 p30 -158.4 175.38 13.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.32 62.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 72.5 t80 -37.72 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.0 123.89 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -90.22 80.8 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -154.23 131.64 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.41 ' N ' HD11 ' A' ' 66' ' ' ILE . 40.9 t -68.64 130.26 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.39 89.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.0 151.89 23.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.64 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.93 170.28 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.1 p90 -144.99 147.58 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.57 135.64 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.578 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 59' ' ' SER . 2.6 p -122.52 161.91 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -114.9 91.28 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 172.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.17 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.23 91.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.09 122.42 4.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.97 15.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 21.1 m -136.54 99.57 10.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 54.5 m -106.07 147.41 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -124.42 127.55 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 66' ' ' ILE . 32.8 t -65.26 124.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.18 -56.18 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -133.89 147.6 51.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 63' ' ' VAL . 72.9 mt -126.88 127.88 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -161.25 77.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.61 -51.25 29.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.05 54.43 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.43 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.24 -172.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.55 170.54 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.82 157.2 44.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 20.9 p90 -156.99 153.16 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 p -105.02 162.87 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -117.96 114.15 22.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -72.81 175.27 6.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 78' ' ' THR . 1.0 OUTLIER 41.43 32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -157.38 -71.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.88 29.77 4.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -107.76 146.35 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.83 129.89 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 47.9 t -130.25 137.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -147.28 142.26 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.4 ' CE1' ' HH2' ' A' ' 36' ' ' TRP . 18.3 m-85 -114.58 113.34 24.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.89 151.83 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.3 mp -129.38 142.22 50.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -135.72 125.89 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.32 103.61 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 96' ' ' GLU . 51.5 mt -92.7 -40.33 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 102.96 -171.26 20.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 49.21 34.96 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.77 34.23 14.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mtmm -131.77 145.95 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.88 145.02 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' CB ' HD11 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -91.13 117.62 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -104.46 127.18 52.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -130.7 108.56 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.38 131.6 36.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.08 126.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.21 106.92 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.28 -168.29 13.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.45 -9.6 5.3 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' A' ' 111' ' ' LEU . 1.8 m95 -103.98 178.56 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -140.79 -78.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m80 -100.29 141.97 23.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.01 -20.7 16.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -54.68 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.13 164.12 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -126.83 163.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -92.38 158.61 38.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -71.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.1 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 t30 71.54 172.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.91 155.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 51.0 mttt -50.59 120.05 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.552 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.3 m -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.0 p -42.86 -41.69 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.56 -39.37 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' SER . 30.6 mm -57.69 -49.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.9 ptm180 -66.42 -25.53 66.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 15.9 t0 -72.8 -51.95 16.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.99 -39.14 91.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -50.3 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 27.5 t -54.48 -52.78 60.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.14 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.22 -36.65 93.49 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.496 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 5.1 m95 -61.27 -41.61 97.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.86 -52.11 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -62.63 -52.38 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.5 mt -55.0 -40.78 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 15.0 t -65.78 -29.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.99 41.26 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.5 mm-40 -142.44 -56.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 139' ' ' LYS . 20.3 mttm -101.56 -72.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.551 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 16.2 tp -37.35 -41.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 37.1 tttm -60.62 -55.09 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.94 -30.11 71.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 26' ' ' VAL . 71.6 t -63.46 -55.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.2 t -72.55 -41.56 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 4.9 tt0 -67.74 -21.3 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 mmm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.541 0.21 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.72 165.64 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 179.41 167.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -121.77 145.63 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.13 -2.63 11.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.31 174.06 7.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.4 mt -84.0 105.6 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -71.89 153.12 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' LYS . 4.3 m-20 -77.72 133.15 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 122' ' ' ARG . 23.9 mt -60.63 84.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASP . 22.9 ttmt -88.83 130.62 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 130' ' ' VAL . 13.9 mt-30 -130.72 82.78 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -81.35 123.88 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 16' ' ' PHE . 12.6 tt -149.96 151.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.37 126.64 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' CE1' HD12 ' A' ' 14' ' ' ILE . 33.9 m-85 -113.27 158.42 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -85.95 75.67 9.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.37 172.35 8.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -95.25 156.12 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.33 -35.81 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -64.02 -45.31 89.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -56.21 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.2 t -52.2 -45.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.2 t-105 -57.23 -46.74 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -31.64 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.0 t -77.45 -0.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.5 m -144.65 40.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.495 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 97.8 p -160.7 35.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 p -149.96 176.77 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -46.36 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -39.7 28.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.54 -46.04 66.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.413 HG22 ' CB ' ' A' ' 37' ' ' PHE . 61.9 mt -75.13 -46.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.56 -20.77 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -72.7 -4.63 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 17.4 p-90 -173.45 66.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.413 ' CB ' HG22 ' A' ' 33' ' ' ILE . 92.0 t80 -179.61 -70.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.5 mtm 171.16 165.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.93 178.13 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.09 72.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 78.0 t80 -40.22 146.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 1.2 p -135.56 128.2 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -95.66 66.03 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -141.58 136.02 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.23 137.41 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.25 25.61 54.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -110.38 86.74 2.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 152.13 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.4 p90 -130.16 -173.61 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.66 136.79 53.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 2.1 m -122.84 164.83 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -113.51 113.3 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.06 160.65 31.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.74 14.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 79.44 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.74 145.5 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 142.92 28.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 m -132.47 96.76 18.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -111.45 136.51 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 115.87 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.426 ' CG1' HG13 ' A' ' 66' ' ' ILE . 87.6 t -61.99 130.02 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.47 -57.03 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.48 148.9 49.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG13 ' CG1' ' A' ' 63' ' ' VAL . 81.0 mt -137.45 113.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 5.8 m-20 -147.91 80.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.23 -51.15 26.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.06 54.57 3.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.01 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 177.25 -173.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.23 165.83 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 151.7 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 31.0 p90 -157.07 147.7 21.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.9 p -92.56 159.38 15.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.71 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 108.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.51 -175.9 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 p 46.17 29.65 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.23 -72.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.19 2.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.402 ' CZ2' ' HB1' ' A' ' 114' ' ' ALA . 20.8 m0 -107.35 166.77 10.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 t -135.65 137.11 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 52.2 t -133.78 128.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.8 t -136.2 133.43 37.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.489 ' CE1' HD12 ' A' ' 99' ' ' LEU . 53.3 m-85 -104.82 112.94 26.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.26 154.51 25.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -142.9 129.47 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -125.95 135.04 51.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.52 109.54 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -97.53 -47.45 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.41 -170.13 14.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.85 24.77 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.253 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.93 30.8 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLY . 22.1 mttt -123.4 161.41 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -154.94 146.59 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.62 110.57 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -100.47 126.15 46.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 56.4 m -131.8 116.89 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD12 ' CE1' ' A' ' 85' ' ' PHE . 2.8 tp -97.63 123.68 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.82 124.69 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.5 t-160 -128.11 109.49 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.89 -171.88 15.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.32 -36.46 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 0.9 OUTLIER -78.69 -170.21 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -147.39 -76.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -106.73 134.37 19.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.555 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.97 -53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 141.22 55.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.7 mm -96.65 161.0 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.14 153.58 37.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.71 73.97 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . 170.21 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 15.2 t30 78.01 179.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.21 143.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -54.13 129.95 36.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 6.3 m -50.51 -51.75 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.478 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 11.8 p -48.15 -35.67 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.7 -29.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 118' ' ' SER . 45.5 mm -75.29 -50.17 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.43 -25.29 67.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -50.78 19.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -42.33 84.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -66.73 -45.92 77.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 25.8 t -59.09 -53.18 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.52 -58.75 7.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.58 -34.29 69.24 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.551 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 8.3 m95 -68.77 -45.26 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.498 ' CG2' ' OE1' ' A' ' 12' ' ' GLN . 75.4 t -54.97 -48.99 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.25 -52.26 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.45 -32.72 25.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 44.7 t -74.33 -32.79 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -115.84 40.43 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 6.1 mm-40 -141.15 -68.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' LYS . 3.6 mttp -91.48 -67.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 18.4 tp -39.01 -45.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -58.45 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.74 -29.77 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 136' ' ' LYS . 96.3 t -64.51 -55.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -54.54 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.12 -40.2 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.51 0.195 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.08 113.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -176.04 172.59 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.35 166.31 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -145.52 165.4 28.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m 50.98 177.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.09 168.32 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -119.32 171.98 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.41 125.55 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.26 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -91.06 132.89 35.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -128.66 89.52 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -82.32 123.99 29.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.61 154.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.18 132.66 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -120.41 149.79 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -80.15 67.86 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.45 177.81 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -103.67 157.57 16.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -49.7 -44.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -58.21 -48.2 81.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -53.48 -35.65 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.7 t-105 -63.03 -48.82 77.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 t -54.5 -31.41 55.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 t -73.92 -5.8 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.13 43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -162.61 29.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -138.98 161.58 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.57 -44.3 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -42.9 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.73 -52.08 48.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.13 -43.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.89 -20.54 37.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -4.85 46.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 16.9 p-90 -167.18 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' MET . 8.7 t80 -178.74 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 161.26 165.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.83 5.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.34 -178.63 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -121.26 78.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.43 163.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -153.14 143.1 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -111.48 78.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -156.46 123.11 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' HD13 ' A' ' 66' ' ' ILE . 39.6 t -60.37 127.39 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.2 2.98 85.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -97.27 136.02 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.584 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.56 157.42 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.4 p90 -138.07 160.12 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.07 144.8 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.545 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 159.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -110.22 123.2 49.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.06 166.91 19.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.53 19.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.96 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.72 -169.03 37.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.0 m -114.22 96.83 43.85 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.62 38.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 72.1 m -130.86 143.82 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -123.54 126.47 46.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG12 ' CG1' ' A' ' 66' ' ' ILE . 75.2 t -65.14 134.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -99.99 -54.3 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -137.48 146.02 43.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.454 ' CG1' HG12 ' A' ' 63' ' ' VAL . 69.7 mt -131.36 130.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.8 m-20 -163.01 81.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.7 tt0 -47.4 -50.95 46.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.51 -73.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.58 -175.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 169.74 17.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.86 150.18 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 34.4 p90 -153.43 145.59 23.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -92.23 164.17 13.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -122.08 120.39 34.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.053 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.7 -175.06 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p 38.22 41.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.18 -82.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.8 1.44 8.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -82.99 155.71 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.84 137.32 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.591 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 97.5 t -128.45 120.98 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -137.0 145.81 44.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 99' ' ' LEU . 45.6 m-85 -115.14 113.3 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.434 ' HA ' ' CB ' ' A' ' 71' ' ' HIS . 16.4 m-20 -85.4 153.87 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mp -138.41 140.56 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -135.27 125.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.74 113.33 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 96' ' ' GLU . 77.4 mt -100.86 -45.76 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.6 -171.63 14.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.9 25.54 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.95 30.29 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.7 mtmm -123.11 153.75 39.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -148.01 141.43 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.41 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -87.58 113.64 23.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.547 ' CE2' HD23 ' A' ' 137' ' ' LEU . 1.9 t80 -99.13 127.67 45.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.3 m -133.28 107.2 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -90.08 122.54 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 mp -118.46 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -131.15 115.6 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.34 -170.6 14.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.77 -32.03 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.592 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 1.0 OUTLIER -93.33 161.61 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -119.97 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.534 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 80.1 m80 -108.38 147.47 35.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' PRO . 11.5 t70 77.11 -56.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -58.8 128.73 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.5 mm -81.72 156.76 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.18 142.7 26.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.13 11.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.86 26.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -159.75 -62.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.4 t-20 75.92 -174.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.71 144.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 3.2 mttp -52.2 126.56 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 34.1 m -61.42 -51.49 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 10.1 p -44.63 -27.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.66 -50.83 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 2.3 mp -53.75 -50.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.82 -29.7 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -39.53 65.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -74.45 -48.68 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.564 ' HG2' ' CD1' ' A' ' 129' ' ' TRP . 3.0 ttt -62.94 -43.46 98.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 31.3 t -56.61 -52.3 65.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.35 7.19 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.04 -35.36 83.5 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.564 ' CD1' ' HG2' ' A' ' 125' ' ' MET . 2.5 m95 -63.83 -43.06 97.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.39 -53.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.52 -50.87 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.8 mt -54.31 -47.48 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.53 -29.43 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.05 35.87 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.96 -65.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 137' ' ' LEU . 50.3 mtmt -86.26 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 97' ' ' PHE . 26.0 tp -37.05 -46.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -54.15 -56.8 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.22 -30.26 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.34 -55.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.8 t -65.66 -56.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.01 -32.06 63.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.512 0.196 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -157.89 174.1 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -41.27 159.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.25 145.34 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -149.56 173.68 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' ASN . 1.7 m 48.97 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 mt -93.52 158.89 15.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -109.96 169.38 8.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.07 121.88 37.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -56.88 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ASP . 8.2 ttmt -94.41 132.24 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -130.31 85.44 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.6 m -80.17 120.47 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.0 tt -144.11 152.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -115.08 121.21 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -106.71 157.06 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.4 66.19 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.12 176.75 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -96.12 160.27 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -54.67 -41.83 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.05 -35.74 81.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -69.06 -56.38 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.93 -40.54 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 36.0 t-105 -57.52 -45.29 85.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -57.35 -30.72 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 140' ' ' VAL . 93.1 t -79.13 0.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -147.61 47.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -164.6 29.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -144.84 -176.53 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HB1' ' N ' ' A' ' 42' ' ' PHE . . . -104.35 -34.11 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -40.75 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.59 -53.55 40.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -61.35 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -19.8 7.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.49 6.67 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' A' ' 137' ' ' LEU . 11.5 p-90 -175.25 60.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' O ' ' SD ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 176.67 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 168.48 160.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.11 11.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' PHE . 5.4 t0 -108.5 59.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' N ' ' HB1' ' A' ' 30' ' ' ALA . 88.2 t80 -37.54 143.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.486 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 3.4 p -132.54 131.95 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -96.62 73.76 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -145.3 147.67 32.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 66' ' ' ILE . 54.2 t -73.09 134.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.44 29.38 30.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.459 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 1.7 t60 -98.51 112.81 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.568 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.1 154.26 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -147.65 -175.25 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.57 137.58 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 53' ' ' GLN . 94.4 t -129.88 165.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 4.2 mt-30 -116.24 129.15 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.61 169.91 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.54 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -93.59 -59.43 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.63 -160.88 14.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 126.25 9.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.03 96.85 11.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.73 26.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 94.9 m -148.51 157.54 43.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -138.64 128.1 24.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.67 142.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.68 -53.48 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -135.89 156.72 48.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 46' ' ' VAL . 66.8 mt -137.11 133.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.7 m-20 -166.26 76.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.6 tt0 -44.83 -50.64 24.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.29 3.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.28 -71.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.34 -171.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 161.41 42.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 157.15 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.478 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 17.3 p90 -156.98 142.26 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.8 p -90.25 159.79 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -116.76 115.22 25.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.987 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.7 t0 -79.03 177.75 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.8 -61.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 81.7 m-20 -79.07 -70.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.76 49.5 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.437 ' CE3' ' HE2' ' A' ' 125' ' ' MET . 7.6 m0 -126.6 158.16 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.46 134.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 62.1 t -131.46 141.43 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.5 p -149.97 147.71 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 m-85 -121.11 114.37 21.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -82.72 149.87 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.96 128.16 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -127.26 118.82 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.15 111.44 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 mt -97.75 -40.92 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.07 -168.85 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 48.95 33.89 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.96 34.35 19.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.5 mtmm -128.73 150.42 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.9 m -144.66 149.49 35.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -97.99 109.25 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 85' ' ' PHE . 68.3 t80 -98.54 130.37 45.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -132.67 109.29 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 85' ' ' PHE . 1.1 tt -89.91 120.66 31.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.08 130.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.1 t-160 -131.79 109.32 10.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.12 -172.7 16.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.28 -22.32 4.22 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.598 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 7.1 m95 -87.22 174.0 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.4 -86.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 140.59 23.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -6.63 18.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -45.61 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.68 125.27 25.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 116' ' ' ALA . 7.1 mm -94.06 144.84 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.598 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -76.94 160.24 76.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -79.32 -50.69 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.36 -60.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 64.64 154.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.512 ' N ' ' CG2' ' A' ' 110' ' ' ILE . . . 77.51 160.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -51.95 123.9 11.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.54 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 26.5 m -62.9 -45.78 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.444 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 52.4 p -49.47 -29.13 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 65.4 mt -79.61 -35.73 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.1 mm -66.57 -50.43 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -63.12 -25.32 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.2 -46.22 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.01 -49.74 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.437 ' HE2' ' CE3' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -61.71 -51.13 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 46.4 t -55.51 -48.14 75.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.92 -55.67 24.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.58 -20.99 70.48 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.48 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 7.7 m95 -78.79 -37.98 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.11 -46.15 92.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.01 -51.36 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.6 mt -55.05 -39.02 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 22.0 t -67.59 -33.21 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.69 39.24 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.2 mm-40 -141.35 -69.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 139' ' ' LYS . 39.3 mtmt -80.87 -68.62 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tt -38.76 -47.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 9.4 tttm -52.96 -52.09 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -68.49 -28.63 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.429 HG12 ' CG1' ' A' ' 26' ' ' VAL . 40.9 t -69.08 -55.0 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.2 t -71.71 -56.88 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 10.1 tt0 -54.71 -35.52 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.538 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 64.83 117.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -74.84 176.27 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.41 162.61 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -119.14 174.2 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.18 175.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.15 151.81 45.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 149.04 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -82.45 118.24 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt -54.51 90.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.2 ttpt -98.35 128.48 44.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.586 HE22 ' N ' ' A' ' 130' ' ' VAL . 7.3 mt-30 -124.87 87.07 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -84.47 122.11 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.0 tt -149.46 153.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.4 t -113.08 121.84 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -106.84 141.8 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.64 62.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.54 -171.7 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -111.14 161.63 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.3 -41.34 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -65.49 -30.28 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -54.46 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 87' ' ' LEU . 24.3 t -55.78 -36.31 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t-105 -61.06 -46.68 89.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -56.6 -31.14 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.84 -7.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -135.42 43.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -165.93 34.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 p -141.27 168.3 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.78 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -37.95 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.78 -52.76 40.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 37' ' ' PHE . 96.6 mt -64.25 -51.85 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.06 -20.69 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.49 -7.37 52.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.7 p-90 -168.68 65.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 107.949 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.47 ' CB ' HG22 ' A' ' 33' ' ' ILE . 42.8 t80 -179.11 -67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.452 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 164.38 167.36 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -165.61 177.94 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.8 t70 -117.14 64.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' ASP . 69.4 t80 -37.45 156.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.652 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -148.55 118.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.06 78.97 9.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 6.4 mt-10 -155.18 138.92 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' N ' HD12 ' A' ' 66' ' ' ILE . 78.6 t -74.2 131.07 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.56 10.02 74.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CD2' ' CG2' ' A' ' 43' ' ' VAL . 1.8 t60 -87.28 115.53 24.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.96 136.8 42.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 1.1 p90 -133.97 -172.56 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.06 142.12 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . 15.3 m -140.05 134.71 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -73.71 104.56 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.13 165.85 15.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -88.8 48.57 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.26 -172.06 37.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -137.5 96.29 10.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.999 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p -149.41 156.58 42.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -132.25 131.1 41.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 66' ' ' ILE . 99.0 t -66.51 134.31 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.5 mt -98.06 -52.64 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.48 150.15 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 63' ' ' VAL . 88.6 mt -134.96 127.69 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 m-20 -158.24 82.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -46.47 -52.45 29.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.21 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 169.03 -74.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 177.43 -177.95 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -141.26 170.58 15.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.54 150.67 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.4 p90 -153.46 141.32 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.7 p -94.34 143.1 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CZ2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -100.63 114.65 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 107.991 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -75.54 -179.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m 38.25 45.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -170.03 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.8 43.43 1.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -128.42 162.52 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.29 133.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 72.4 t -129.97 130.05 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -139.96 135.24 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 99' ' ' LEU . 44.4 m-85 -103.25 112.76 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.13 150.93 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' A' ' 23' ' ' VAL . 6.4 mp -136.74 138.17 40.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -134.0 130.12 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.47 118.14 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 96' ' ' GLU . 11.7 mt -108.99 -40.63 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 110.32 -167.7 12.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 47.87 34.88 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.7 m120 59.81 36.37 22.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' GLY . 8.2 mtmm -129.93 146.95 51.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -143.33 138.3 29.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 90' ' ' LEU . 4.6 tt0 -85.21 109.26 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 137' ' ' LEU . 2.4 t80 -96.73 128.02 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 50.1 m -133.18 106.81 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -90.67 122.13 33.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.31 130.05 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -132.98 107.48 8.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.33 -161.32 11.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.58 -42.68 1.4 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.524 ' CE3' HD13 ' A' ' 111' ' ' LEU . 3.6 m95 -65.51 179.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.35 -73.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 145.72 32.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.94 20.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -52.38 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.56 140.4 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mm -101.22 161.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.524 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -103.55 145.68 31.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.71 49.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -176.62 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.6 t30 78.9 179.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.58 148.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -51.25 130.49 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.7 m -59.78 -50.76 72.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.475 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 78.0 p -45.61 -33.94 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.24 -37.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.432 HG23 ' CZ2' ' A' ' 104' ' ' TRP . 35.4 mm -67.79 -50.37 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.475 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -63.99 -25.74 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.16 -59.09 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -55.21 -41.43 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -69.15 -48.34 62.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -47.95 82.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.23 -51.04 27.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.404 ' O ' ' CG1' ' A' ' 132' ' ' ILE . . . -67.36 -32.0 78.39 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.495 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 11.7 m95 -65.91 -42.14 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.586 ' N ' HE22 ' A' ' 12' ' ' GLN . 76.4 t -59.71 -50.77 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -65.68 -51.95 55.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 128' ' ' GLY . 65.7 mt -55.65 -39.05 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 13.4 t -66.77 -31.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -115.64 38.34 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.5 mm-40 -142.06 -62.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.4 mtmm -91.37 -69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.493 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 1.6 tt -35.61 -56.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -55.84 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -60.29 -37.34 80.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.59 -55.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.68 -57.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -20.94 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.513 0.197 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.61 175.57 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 78.38 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.69 172.76 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.26 168.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER 59.67 173.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -77.67 161.57 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.69 177.11 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 128.98 35.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -59.91 95.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -94.92 131.65 40.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.617 HE22 ' N ' ' A' ' 130' ' ' VAL . 20.6 mt-30 -130.25 91.31 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.1 m -90.95 122.49 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.1 tt -144.77 151.37 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.09 136.77 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 137' ' ' LEU . 44.3 m-85 -124.92 160.54 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -89.05 64.07 6.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.38 -178.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 149.55 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.424 ' HA ' ' CG2' ' A' ' 95' ' ' THR . 1.5 tt -45.14 -42.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' NE2' HG22 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -59.29 -47.48 85.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -56.01 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.47 -37.6 38.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.554 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.0 t-105 -60.99 -45.89 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -58.43 -31.03 67.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 ' CG1' ' A' ' 140' ' ' VAL . 77.7 t -76.25 -5.85 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.01 44.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -165.92 30.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 5.3 p -138.07 -176.23 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -104.16 -38.75 6.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -43.5 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.2 37.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG22 ' CG ' ' A' ' 37' ' ' PHE . 36.1 mt -58.71 -47.37 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.26 -20.27 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -8.83 57.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.9 p-90 -171.27 65.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CG ' HG22 ' A' ' 33' ' ' ILE . 12.7 t80 -178.89 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 165.72 163.78 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.57 8.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.463 ' CB ' HG12 ' A' ' 52' ' ' VAL . 8.8 p30 -168.24 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' PHE . 3.1 m-20 -118.08 66.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 29' ' ' THR . 64.9 t80 -37.64 156.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.561 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 2.8 p -146.58 127.11 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 tp -94.05 64.7 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 1.7 mt-10 -142.85 139.2 30.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 66' ' ' ILE . 75.9 t -69.5 136.36 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 23.52 48.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.457 ' CD2' HG22 ' A' ' 43' ' ' VAL . 3.5 t60 -101.9 62.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 145.48 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 2.0 p90 -132.76 -172.17 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 146.16 49.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.463 HG12 ' CB ' ' A' ' 40' ' ' ASN . 14.5 m -123.81 169.26 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.0 109.72 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.43 156.97 57.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.55 16.74 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 5.0 t80 -86.93 -37.2 17.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.3 162.81 14.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 130.67 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 m -137.19 96.67 11.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.2 Cg_endo -75.01 133.59 16.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 11.1 m -104.28 167.12 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -142.75 113.72 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 66' ' ' ILE . 85.9 t -56.01 124.84 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.79 -57.21 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -133.28 150.66 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 63' ' ' VAL . 69.9 mt -126.6 124.61 65.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.5 m-20 -159.41 75.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.03 -52.18 20.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 54.07 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 178.86 -171.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.03 164.33 38.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.16 156.39 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 27.1 p90 -157.11 143.81 18.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.4 p -89.56 137.4 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.77 131.38 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.956 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -78.87 177.0 9.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 77' ' ' ASP . 70.3 p 47.98 23.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER 172.87 102.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.3 -19.07 3.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.631 ' NE1' ' CH2' ' A' ' 104' ' ' TRP . 1.2 m0 -54.13 119.32 4.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 83' ' ' VAL . 2.2 t -93.91 158.53 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.562 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 48.8 t -132.52 128.25 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -136.59 137.86 40.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.12 112.7 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.98 155.76 19.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.98 142.92 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -138.14 121.62 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.54 121.55 23.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 mt -110.05 -43.55 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.01 -169.47 13.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 51.28 28.36 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.76 30.82 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 91' ' ' GLY . 4.9 mtmm -124.14 150.02 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 20' ' ' ILE . 80.5 m -143.13 147.07 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.21 101.46 12.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -87.15 125.32 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.41 ' CG2' HD11 ' A' ' 100' ' ' ILE . 87.3 m -127.74 105.62 8.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.75 134.02 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.41 HD11 ' CG2' ' A' ' 98' ' ' THR . 1.9 mp -128.97 123.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -132.0 108.96 9.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.12 -156.49 10.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.43 -33.32 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CH2' ' NE1' ' A' ' 81' ' ' TRP . 1.4 m95 -84.71 173.77 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 6' ' ' THR . 0.1 OUTLIER -141.33 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.484 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -104.4 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.96 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -40.25 8.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.11 166.74 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 4.6 mm -138.06 130.41 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.74 146.61 69.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.03 170.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 -62.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' PRO . . . -74.87 -50.34 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 20.2 m-20 62.56 178.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 115' ' ' ASN . . . 82.22 157.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.7 mttm -50.83 132.27 26.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 82.6 p -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.4 p -66.86 -44.17 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.52 -45.08 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.1 mm -67.61 -46.93 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -42.76 62.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.17 -54.3 31.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -49.99 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -52.91 63.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.4 t -53.35 -49.87 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.64 -60.14 6.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.26 -29.65 60.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.467 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 5.2 m95 -72.03 -43.32 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.617 ' N ' HE22 ' A' ' 12' ' ' GLN . 8.1 t -60.2 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.29 -51.74 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.99 -36.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 17.8 t -67.95 -34.36 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -113.83 40.8 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.0 mm-40 -141.54 -65.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 137' ' ' LEU . 32.9 mtmt -92.53 -64.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.528 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 2.4 tm? -39.42 -47.7 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -56.95 14.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -59.88 -32.59 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 26' ' ' VAL . 49.7 t -63.58 -54.94 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.71 -57.09 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -32.15 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' GLN . 4.4 mt-10 -132.39 -174.84 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.48 94.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' GLU . 1.9 tt0 -169.93 -148.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -53.55 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.478 HG21 ' CD2' ' A' ' 106' ' ' HIS . 0.7 OUTLIER 68.46 176.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -93.82 130.42 39.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -104.28 -174.09 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.1 m-20 -95.5 116.22 28.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' HIS . 23.4 mt -43.68 97.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.6 ttmm -96.3 127.63 42.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' OE1' ' CG2' ' A' ' 130' ' ' VAL . 3.2 mt-30 -128.48 83.24 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -83.6 121.65 27.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -149.93 151.05 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -109.82 125.28 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -112.9 159.27 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.36 69.39 9.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.02 179.86 8.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -105.68 153.9 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 tt -49.1 -36.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -69.9 -39.22 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -57.43 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.6 -35.57 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 48.3 t-105 -67.13 -45.93 75.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -56.99 -34.7 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.32 -14.22 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.76 41.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.4 p -167.25 36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 p -146.61 172.61 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 -44.71 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -42.2 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.79 78.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 42' ' ' PHE . 51.4 mt -70.34 -52.92 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' MET . . . -57.23 -19.28 20.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' PHE . 2.0 p-90 -152.55 -68.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.014 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CB ' HG21 ' A' ' 33' ' ' ILE . 1.2 t80 -34.23 -69.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.83 158.54 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.44 13.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.558 ' N ' HD21 ' A' ' 40' ' ' ASN . 0.1 OUTLIER -172.98 -172.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.28 61.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.49 ' CG ' HD12 ' A' ' 33' ' ' ILE . 89.0 t80 -49.52 136.8 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 ' CD2' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -128.76 133.36 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -94.47 75.86 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CG2' ' A' ' 43' ' ' VAL . 1.3 mp0 -148.48 134.26 18.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.19 137.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.66 25.45 51.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' CD2' HG22 ' A' ' 43' ' ' VAL . 1.7 t60 -102.07 97.98 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.33 149.97 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.6 p90 -145.23 -175.66 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.58 145.06 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t -137.74 161.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -107.57 133.73 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.25 163.85 39.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.34 20.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.66 -57.78 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.0 -163.42 21.92 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.3 3.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.9 96.89 28.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 63.5 m -147.93 157.98 43.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 122.51 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.17 148.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.83 -56.12 2.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.77 149.32 51.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.1 mt -124.8 127.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' HIS . 8.8 m-20 -162.33 77.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -46.26 -50.84 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.26 -72.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 176.15 -173.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.92 162.52 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.1 150.23 52.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 46.0 p90 -154.86 146.64 23.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -94.12 165.94 12.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -118.83 112.94 20.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -64.46 173.3 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m 38.33 40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.448 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -163.18 -66.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.21 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -100.75 160.11 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -132.69 126.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.0 t -123.17 127.78 74.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t -134.15 129.86 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' CE1' HD13 ' A' ' 99' ' ' LEU . 8.7 m-85 -103.69 113.04 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.37 157.32 26.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.8 mp -143.94 130.3 19.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -129.05 127.3 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -75.84 105.59 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 96' ' ' GLU . 93.6 mt -92.66 -49.28 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.66 -171.75 13.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 47.98 35.58 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.54 36.45 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.7 mtmm -132.64 146.84 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.06 144.81 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' N ' HD13 ' A' ' 90' ' ' LEU . 3.5 tt0 -86.18 112.97 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.427 ' CZ ' HD11 ' A' ' 137' ' ' LEU . 6.5 t80 -98.77 123.12 42.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.415 HG21 ' CD1' ' A' ' 100' ' ' ILE . 41.5 m -130.26 112.02 12.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 85' ' ' PHE . 6.5 tt -88.72 115.4 26.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 ' CD1' HG21 ' A' ' 98' ' ' THR . 12.8 mm -109.77 110.43 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 10' ' ' ILE . 6.9 t-160 -131.88 118.3 19.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.9 -153.13 7.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.83 -50.19 0.89 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.659 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 2.1 m95 -66.14 178.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -139.58 -80.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.478 ' CD2' HG21 ' A' ' 6' ' ' THR . 1.3 m170 -102.98 134.75 19.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.03 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.44 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 142.92 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 111' ' ' LEU . 10.3 mm -96.31 160.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.659 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -98.18 157.81 33.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -51.81 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -84.92 -52.07 6.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.05 -62.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.1 t30 72.87 157.78 0.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 71.97 163.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.46 124.28 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.607 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 3.2 p -60.37 -20.68 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.1 p -77.53 -42.14 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.9 mt -61.19 -46.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.55 -48.65 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -55.37 -41.47 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.38 -52.15 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -47.66 75.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.4 OUTLIER -69.28 -53.07 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 40.7 t -54.55 -52.58 61.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.16 -54.06 41.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.39 -26.3 66.11 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 6.3 m95 -75.91 -40.57 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.433 ' CG2' ' OE1' ' A' ' 12' ' ' GLN . 68.7 t -57.29 -46.52 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.59 -51.26 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -54.86 -43.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.9 t -64.84 -29.59 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.8 37.84 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.4 mm-40 -141.67 -71.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 139' ' ' LYS . 10.4 mtmt -83.86 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' LYS . 1.2 tt -38.56 -48.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -51.1 -51.87 49.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.88 -33.99 74.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.19 -52.4 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.9 -57.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -34.9 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.491 0.186 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.03 119.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -119.85 133.91 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ASN . 3.3 tt0 -177.07 149.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 33.8 m-20 -176.35 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.33 154.49 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.3 144.91 51.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -98.22 156.43 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 132.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.22 84.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -85.54 134.58 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.48 HE22 ' N ' ' A' ' 130' ' ' VAL . 45.5 mt-30 -131.27 90.85 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.7 m -88.76 119.0 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.488 HD13 ' CE1' ' A' ' 16' ' ' PHE . 10.1 tt -146.26 154.37 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.08 121.11 64.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE1' HD13 ' A' ' 14' ' ' ILE . 40.9 m-85 -108.86 153.59 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -84.16 76.1 10.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.05 174.5 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.6 m -95.55 156.12 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -39.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.69 -33.75 75.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -57.53 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.22 -35.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' A' ' 68' ' ' GLU . 28.3 t-105 -59.05 -46.11 89.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 t -57.87 -30.96 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' HG13 ' A' ' 140' ' ' VAL . 79.2 t -76.07 -10.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 m -132.21 48.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.3 p -157.25 -44.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -71.01 159.66 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.32 -41.61 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -51.1 53.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.72 -52.39 52.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 50.8 mt -58.97 -45.98 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.26 27.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 13.14 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CZ3' HD13 ' A' ' 137' ' ' LEU . 7.6 p-90 -174.9 47.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -171.68 -72.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 53' ' ' GLN . 1.8 mtm 175.45 163.22 0.41 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.76 -175.19 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -120.45 62.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' CD2' HD12 ' A' ' 33' ' ' ILE . 14.4 t80 -36.52 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.6 p -141.01 132.64 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 tp -98.17 78.63 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 5.5 mt-10 -151.95 137.72 17.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.88 129.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.65 89.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.549 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.4 t60 -92.16 146.22 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.88 155.1 51.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.05 -176.11 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.98 148.95 39.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.1 t -126.78 161.73 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 38' ' ' MET . 5.8 tp-100 -101.71 90.25 3.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.63 158.91 31.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.94 19.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -116.11 59.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.33 172.94 48.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 t -111.5 97.42 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 95.1 m -147.63 158.56 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -137.25 118.47 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 66' ' ' ILE . 99.5 t -58.16 127.83 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -90.94 -56.28 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.42 149.55 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 45' ' ' GLU . 15.3 mt -132.14 121.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -154.91 77.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 1.4 tt0 -44.82 -50.69 24.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.54 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.2 -73.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 179.31 -171.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.88 159.92 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.56 156.27 45.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 9.0 p90 -155.08 143.32 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.5 p -93.22 167.68 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.455 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -123.83 119.19 28.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.21 171.84 13.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.8 p 44.7 27.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.69 -56.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.02 -19.47 54.66 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -59.38 145.91 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.37 143.87 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 25.4 t -136.76 137.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 t -146.47 145.71 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.8 112.95 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 155.97 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.36 135.29 38.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -132.44 124.08 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.25 114.7 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 96' ' ' GLU . 20.0 mt -100.18 -42.86 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.25 -174.41 15.52 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 53.03 25.11 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 72.88 26.67 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' GLY . 7.3 mtmt -119.52 145.79 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -141.73 141.15 33.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.3 tt0 -83.98 120.23 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 137' ' ' LEU . 2.0 t80 -106.27 127.24 53.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.6 m -133.01 109.08 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.94 131.48 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.7 129.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.472 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -130.45 113.85 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.08 179.24 16.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.34 -19.18 1.18 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.579 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 1.2 m95 -92.94 -165.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -160.73 -60.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -113.07 140.08 23.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -25.86 11.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -56.22 7.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.94 147.74 27.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 111' ' ' LEU . 3.2 mt -118.82 161.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.452 HD12 ' CZ3' ' A' ' 104' ' ' TRP . 2.6 mp -87.21 158.55 52.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -69.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.01 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.9 t-20 79.14 -179.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.32 146.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -50.86 123.05 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.579 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 80.4 p -46.8 -37.83 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -54.98 -35.1 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.43 -50.94 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.04 -47.76 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -55.49 -48.11 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.28 -55.26 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.39 -51.36 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -32.2 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.8 t -59.64 -53.2 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.7 27.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -50.91 -30.69 22.94 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.492 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 8.0 m95 -78.57 -41.92 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.48 ' N ' HE22 ' A' ' 12' ' ' GLN . 13.0 t -60.63 -41.72 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.45 -51.58 16.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.44 -37.73 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 24.1 t -67.84 -30.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.27 38.55 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.7 mm-40 -141.47 -71.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 137' ' ' LEU . 23.7 mtmt -79.47 -70.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.57 HD13 ' CZ3' ' A' ' 36' ' ' TRP . 10.1 tt -39.32 -51.43 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -49.12 -56.06 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 143' ' ' GLY . 3.0 mtpt -64.01 -32.05 73.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.438 HG13 ' CG1' ' A' ' 26' ' ' VAL . 52.1 t -64.51 -54.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.62 -57.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -35.17 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.51 0.195 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.82 71.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -160.6 175.44 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.72 146.4 50.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -107.67 175.65 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' ASN . 23.8 p 46.39 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.89 115.65 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -47.81 153.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -86.68 128.03 34.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.48 82.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' ASP . 29.1 ttmt -87.7 135.01 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' NE2' HG22 ' A' ' 130' ' ' VAL . 36.0 mt-30 -131.29 86.55 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -83.06 122.97 29.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tt -151.24 154.3 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.29 124.02 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -105.91 154.54 20.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.66 78.85 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -171.73 -175.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -104.61 154.07 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' TRP . 4.5 tt -50.29 -42.94 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -56.62 -45.28 81.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -53.71 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.19 -36.55 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 16.3 t-105 -67.01 -49.28 65.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -31.2 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 16.8 t -75.11 -5.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.13 41.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -161.33 27.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -138.13 173.83 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.97 -43.82 11.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -42.06 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.86 44.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.58 -55.06 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.799 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.35 -21.89 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -7.82 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CH2' HD23 ' A' ' 137' ' ' LEU . 16.0 p-90 -172.11 65.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' CZ2' ' A' ' 76' ' ' TRP . 72.5 t80 178.43 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 177.37 152.54 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 53' ' ' GLN . 18.2 Cg_endo -74.95 128.68 11.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 40' ' ' ASN . 0.2 OUTLIER -173.32 178.82 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.05 78.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.3 154.08 14.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.01 134.73 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -96.96 70.54 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 mm-40 -138.51 141.54 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.44 133.99 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 24.07 56.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 1.3 t60 -93.88 113.95 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.786 . . . . 0.0 109.609 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.09 144.69 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -141.09 -173.81 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 145.0 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 53' ' ' GLN . 47.9 t -142.82 152.79 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -100.47 138.71 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.01 161.7 61.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.4 18.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -131.36 53.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.17 177.7 46.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.4 12.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -137.19 96.93 11.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 9.7 p -160.48 159.93 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -136.23 125.21 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.449 HG12 ' CG1' ' A' ' 66' ' ' ILE . 42.1 t -61.58 138.87 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -99.34 -56.52 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.24 150.59 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.449 ' CG1' HG12 ' A' ' 63' ' ' VAL . 51.0 mt -130.36 123.35 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.2 m-20 -154.98 77.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -44.91 -52.01 20.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.0 54.03 3.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.26 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.44 -171.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.57 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.42 165.96 32.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.18 154.98 49.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 38.0 p90 -154.81 147.35 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -97.05 136.92 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CZ2' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -98.56 115.93 29.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.91 171.83 14.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.4 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 58.14 40.99 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -178.68 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.13 40.37 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -118.17 161.46 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.59 137.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 39.1 t -135.71 131.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -141.74 138.19 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 27.3 m-85 -106.75 112.91 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.2 156.58 23.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.71 131.45 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.91 122.12 29.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.25 120.45 15.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.0 mt -110.76 -39.23 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 103.77 -168.09 16.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.68 34.66 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ALA . 9.9 m-80 60.72 37.5 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.6 mttt -133.4 150.67 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.0 m -149.91 147.77 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.367 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -93.54 126.16 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 1.9 t80 -115.65 128.88 56.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.5 m -131.11 105.26 7.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tp -88.73 125.58 34.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.25 127.57 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -129.29 113.82 15.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.44 -166.41 10.74 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.148 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.69 -34.31 2.04 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -57.83 176.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -123.38 -49.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 149.81 25.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.63 15.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.48 -47.28 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.54 166.77 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.65 154.49 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -82.1 136.6 46.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.58 54.24 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . 176.82 -73.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 8.4 t30 82.33 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 175.59 133.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -51.23 118.25 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.465 ' OG ' ' CD2' ' A' ' 104' ' ' TRP . 32.1 t -47.68 -53.97 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 1.1 p -43.42 -34.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.8 mt -79.2 -48.03 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.7 mm -58.93 -50.16 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.86 -25.16 67.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -42.96 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -50.35 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -43.75 82.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.486 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 16.2 t -59.09 -53.13 61.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -45.17 52.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.65 62.44 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.494 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 13.2 m95 -66.76 -38.25 86.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 126' ' ' SER . 87.2 t -57.99 -55.03 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -64.5 -51.25 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.69 -36.11 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 19.7 t -73.89 -29.02 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -115.61 36.99 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.8 mm-40 -140.58 -79.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 139' ' ' LYS . 0.8 OUTLIER -72.31 -69.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.559 HD23 ' CH2' ' A' ' 36' ' ' TRP . 24.9 tp -36.6 -52.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 1.7 tppt? -50.64 -52.69 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -65.26 -37.07 86.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.87 -55.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.08 -57.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -49.62 -36.94 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.513 0.197 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.91 171.62 15.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 72.12 161.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.8 tp60 -63.9 -149.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 4' ' ' GLN . 4.2 m-20 82.14 145.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.32 170.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 mt -108.89 171.08 7.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -121.93 176.0 6.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -89.64 129.57 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 122' ' ' ARG . 8.8 mt -60.45 83.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ASP . 7.9 tttt -89.43 144.83 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 33.1 mt-30 -145.81 95.56 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -90.71 122.06 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 16' ' ' PHE . 16.8 tt -147.11 154.56 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.87 126.92 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 14' ' ' ILE . 20.6 m-85 -116.55 149.81 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -79.65 77.35 6.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' CB ' ' HE2' ' A' ' 22' ' ' LYS . . . -163.85 -172.92 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -110.38 164.01 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.35 -37.73 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -67.94 -30.32 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HE2' ' CB ' ' A' ' 18' ' ' ALA . 9.5 ttpt -78.49 -58.1 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' CD2' ' A' ' 87' ' ' LEU . 70.1 t -50.98 -36.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 35.3 t-105 -57.52 -43.75 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 29' ' ' THR . 0.9 OUTLIER -57.08 -35.9 69.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.32 -16.91 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -126.37 38.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.6 p -165.21 31.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 25' ' ' SER . 4.7 p -130.04 155.76 45.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.6 -45.81 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -41.8 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.84 -52.92 45.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.564 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 16.2 mt -58.81 -46.57 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.21 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 14.96 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.586 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 5.5 p-90 -177.4 45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.408 ' O ' ' SD ' ' A' ' 38' ' ' MET . 82.6 t80 -170.96 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER 167.7 165.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.06 5.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -161.64 -171.77 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -123.67 67.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -39.41 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.7 p -150.64 113.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 74.03 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -152.15 128.36 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.21 132.49 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.25 1.71 90.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.4 t60 -98.24 140.02 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.07 160.33 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.7 p90 -136.74 135.51 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -81.99 144.01 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 59' ' ' SER . 3.5 p -133.45 166.65 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 28.1 mt-30 -116.14 90.68 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -91.77 156.8 42.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.23 18.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -117.29 51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.89 169.74 41.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.25 6.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 4.0 m -136.99 97.47 10.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.71 3.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 57.6 m -146.21 145.6 30.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.62 123.35 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.95 137.59 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.28 -56.9 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -134.41 157.23 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 82.7 mt -133.99 131.68 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.0 m-20 -166.79 77.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.4 tt0 -46.74 -50.75 41.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.81 -72.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.37 -171.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.16 169.74 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.37 150.6 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 29.7 p90 -155.06 145.11 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.5 p -97.35 151.56 19.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -100.45 114.06 27.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 107.974 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 49.9 m-20 -70.76 178.17 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.1 m 38.11 34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -163.7 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.08 38.61 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' TRP . 10.8 m0 -110.69 143.59 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.79 129.15 75.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.565 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 52.6 t -129.01 127.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.6 p -135.87 129.12 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CE1' HD11 ' A' ' 99' ' ' LEU . 10.6 m-85 -108.06 114.14 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.47 157.62 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' CD2' HG13 ' A' ' 23' ' ' VAL . 3.8 mp -141.81 118.94 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -119.08 130.47 55.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.85 101.26 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 96' ' ' GLU . 39.8 mt -83.67 -44.35 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.42 -171.36 14.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 48.62 36.04 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 6.9 m-80 61.53 36.24 17.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.5 mtmt -133.06 144.36 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -141.29 141.78 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' CB ' HD13 ' A' ' 90' ' ' LEU . 1.6 tt0 -86.4 111.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -97.6 119.11 35.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -125.14 105.37 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mp -128.38 129.27 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.9 OUTLIER -130.87 106.74 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.36 -166.73 21.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.24 -29.44 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CE3' HD11 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -95.16 168.71 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -135.86 -70.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -98.05 148.42 34.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.8 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.12 -39.0 89.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 146.46 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 20.1 mm -120.25 167.3 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.546 HD11 ' CE3' ' A' ' 104' ' ' TRP . 1.4 mp -115.89 148.81 42.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -89.51 44.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -165.68 -53.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.5 m120 62.2 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 75.35 155.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mttp -50.32 117.05 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.424 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 7.6 p -46.75 -29.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 p -68.21 -38.82 82.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.9 mt -61.25 -48.87 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.2 mm -63.17 -45.91 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 10' ' ' ILE . 3.8 ttp180 -57.3 -49.09 77.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -65.04 -51.63 60.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -52.15 60.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.66 -46.45 89.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.8 t -58.62 -48.59 80.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.57 -62.14 5.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.63 -27.49 68.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -70.2 -41.25 73.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.11 -53.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -61.9 -52.24 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.11 -40.9 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.08 -31.68 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -116.0 41.24 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.1 mm-40 -144.42 -53.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 137' ' ' LEU . 24.7 mtmt -105.07 -57.43 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.568 HD23 ' CH2' ' A' ' 36' ' ' TRP . 1.1 tm? -38.19 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.88 -54.53 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.6 OUTLIER -47.41 -46.32 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.34 -55.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.3 t -55.96 -57.23 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.65 -36.16 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.542 0.21 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -175.96 65.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 56.91 166.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -136.26 167.22 21.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.55 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 2.8 t-20 -102.05 -0.7 33.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -123.99 151.99 43.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.25 120.13 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -52.14 163.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.13 139.02 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -70.49 88.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -84.9 152.57 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.535 HE22 ' N ' ' A' ' 130' ' ' VAL . 61.1 mt-30 -153.15 78.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 m -79.38 119.43 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 tt -148.18 152.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.88 131.57 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -112.9 153.32 28.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.59 64.73 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' CA ' ' A' ' 94' ' ' LYS . . . -155.22 -174.69 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -106.39 149.76 26.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 tt -47.26 -43.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.34 -32.55 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.4 ttpp -75.31 -52.85 9.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.32 -40.86 76.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 30.3 t-105 -60.09 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -32.1 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -77.94 -5.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.7 48.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -175.32 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 p -148.27 -175.81 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -105.85 -39.55 6.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -42.34 20.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.55 -48.79 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.96 -51.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -57.46 -18.52 18.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -12.76 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' PHE . 18.0 p-90 -148.2 -66.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' MET . 13.2 t80 -33.1 -68.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 160.17 172.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -160.06 -176.42 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.62 59.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -42.32 150.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG23 ' CD2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -139.53 136.84 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -96.06 65.44 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 3.1 mm-40 -142.14 138.99 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.48 134.99 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.25 58.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' CD2' HG23 ' A' ' 43' ' ' VAL . 3.1 t60 -101.66 82.66 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 156.46 37.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.4 p90 -152.03 -171.46 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -110.51 150.46 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 40' ' ' ASN . 61.9 t -138.29 164.14 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -112.87 133.41 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.21 154.94 82.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.27 9.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -112.51 -51.32 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.61 -176.25 41.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.11 3.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.83 96.88 28.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.29 10.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 3.4 m -137.84 170.43 16.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -147.48 114.79 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.444 ' CG1' HG13 ' A' ' 66' ' ' ILE . 45.1 t -65.93 130.94 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -98.6 -57.19 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.85 149.32 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG13 ' CG1' ' A' ' 63' ' ' VAL . 35.2 mt -137.96 114.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.09 80.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -45.07 -50.93 25.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.1 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 168.06 -74.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.71 -166.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.14 169.46 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.0 155.1 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -157.07 153.85 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 p -99.8 164.56 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -119.7 113.83 21.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.64 172.34 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m 44.17 42.34 4.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -163.15 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.98 36.82 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.551 ' CZ3' ' HE1' ' A' ' 125' ' ' MET . 9.7 m0 -119.05 176.37 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.1 131.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 77.1 t -117.28 125.51 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.6 t -128.45 125.09 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -98.86 169.66 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' C ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -145.44 151.75 38.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 86' ' ' ASP . 5.4 mp -145.38 137.62 25.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.62 124.18 26.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.91 95.39 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 mt -84.75 -45.88 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 113.33 -169.72 13.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 48.66 35.03 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 17.5 m-80 61.82 35.29 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mttp -131.34 151.35 51.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 96' ' ' GLU . 1.5 m -147.04 141.44 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 95' ' ' THR . 2.4 tt0 -84.23 113.15 20.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -103.98 125.58 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 m -131.78 108.6 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 129.83 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mp -127.8 131.69 69.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.504 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.4 OUTLIER -128.78 139.81 52.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.625 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -158.06 174.84 35.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.89 -26.66 0.64 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CE3' ' CD1' ' A' ' 111' ' ' LEU . 6.7 m95 -70.9 -164.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 -79.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 5' ' ' ASN . 20.2 m80 -114.41 140.18 24.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 -41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.47 152.71 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 111' ' ' LEU . 2.5 mt -109.98 157.85 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.561 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -91.47 151.52 42.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -61.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -46.75 56.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -58.33 -63.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 18.4 t30 80.4 171.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.18 158.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.19 133.24 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 95.4 p -59.23 -47.01 86.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.9 p -61.33 -38.6 87.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 13.0 mt -61.45 -50.71 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.26 -42.99 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -44.04 73.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.99 -50.09 31.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.58 -52.26 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.551 ' HE1' ' CZ3' ' A' ' 81' ' ' TRP . 4.2 mmt -58.75 -29.95 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -72.57 -52.77 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.08 -36.54 28.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.65 -37.03 12.42 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 125' ' ' MET . 7.6 m95 -65.04 -50.42 66.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.535 ' N ' HE22 ' A' ' 12' ' ' GLN . 40.6 t -55.62 -43.96 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.77 -52.43 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -38.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.09 -33.21 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -116.81 42.76 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.4 mm-40 -142.78 -58.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 137' ' ' LEU . 14.8 mttm -100.86 -65.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -37.33 -57.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -48.86 -55.75 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.09 -40.43 76.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.03 -54.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.28 -57.16 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -55.73 -20.89 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.439 0.161 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 64.97 98.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -115.37 170.61 8.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.3 169.91 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -147.06 168.86 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 p 46.16 -172.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 149.43 44.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.72 166.65 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -100.55 124.87 46.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.32 85.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 9' ' ' ASP . 12.0 ttmt -90.49 132.97 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' A' ' 129' ' ' TRP . 2.3 mt-30 -128.54 82.61 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.5 m -81.22 120.13 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.485 HD12 ' CE1' ' A' ' 16' ' ' PHE . 6.4 tt -151.04 155.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.37 135.77 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' HD11 ' A' ' 137' ' ' LEU . 58.2 m-85 -122.42 160.11 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.91 74.73 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.78 -175.26 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -114.04 150.4 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -46.23 -32.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -68.8 -48.64 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -54.09 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.02 -35.1 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 28.1 t-105 -66.47 -49.77 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.57 -31.95 62.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 t -74.74 -8.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.68 43.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -165.65 39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 5.6 p -145.49 -176.04 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -102.12 -41.46 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -44.04 19.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.02 -51.49 45.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.86 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.81 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -77.08 -2.52 34.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 14.3 p-90 -174.72 65.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' MET . 3.5 t80 179.01 -64.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 161.39 166.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' HD21 ' A' ' 40' ' ' ASN . 0.4 OUTLIER -162.43 176.88 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -114.88 66.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 29' ' ' THR . 54.5 t80 -37.64 151.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 50' ' ' PHE . 1.2 p -147.36 119.07 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 tp -85.28 76.08 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -148.69 133.68 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.79 135.41 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.44 16.42 65.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.06 116.38 31.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.634 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.54 157.16 17.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -131.0 171.09 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 144.49 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.19 167.43 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -128.17 117.52 21.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 156.95 66.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -105.64 -57.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.87 169.91 41.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.06 8.31 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -136.83 96.42 11.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -75.02 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -128.43 147.61 50.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -129.78 107.05 9.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.453 HG11 ' CG1' ' A' ' 66' ' ' ILE . 80.2 t -55.83 125.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -90.56 -55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.25 152.33 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.453 ' CG1' HG11 ' A' ' 63' ' ' VAL . 60.3 mt -131.43 132.5 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.69 75.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -44.81 -50.99 23.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.28 3.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.562 1.822 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.8 -73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 179.43 -173.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.3 152.18 27.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -125.85 160.05 30.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 43.1 p90 -155.75 145.35 21.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.9 p -89.96 155.51 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.88 138.68 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.447 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -79.55 -178.98 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 33.0 p 37.07 45.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' THR . 1.5 m-20 156.35 110.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.93 53.22 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CZ2' ' CH2' ' A' ' 104' ' ' TRP . 10.1 m0 -117.29 134.47 54.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.05 146.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 101' ' ' HIS . 98.1 t -135.74 121.55 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 p -134.63 146.89 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CE1' HG13 ' A' ' 83' ' ' VAL . 5.8 m-85 -119.88 112.83 19.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.99 149.62 26.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.49 141.35 51.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -129.72 132.04 46.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -83.65 102.72 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 96' ' ' GLU . 84.4 mt -93.68 -45.1 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 106.71 -169.53 15.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 47.96 35.76 5.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.4 m120 61.72 35.63 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.1 mtmm -132.03 148.48 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 96' ' ' GLU . 1.2 m -149.3 142.18 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' N ' HG21 ' A' ' 95' ' ' THR . 0.2 OUTLIER -89.02 121.64 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -105.7 132.4 51.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 m -132.31 107.27 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 tt -90.52 119.44 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -122.01 117.18 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.416 ' CD2' HG21 ' A' ' 83' ' ' VAL . 1.3 t-80 -125.8 108.3 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -131.82 -156.25 8.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.48 -33.9 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.562 ' CH2' ' CZ2' ' A' ' 81' ' ' TRP . 10.0 m95 -55.91 176.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 -67.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 7.0 m170 -127.89 140.86 39.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 109' ' ' GLU . 18.3 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -26.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -102.04 154.06 19.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.1 mm -101.01 155.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.5 144.65 29.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.89 8.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.48 28.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.15 -56.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.58 -171.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.85 145.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 117.08 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.546 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.0 p -50.88 -44.27 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 12.6 p -48.23 -30.22 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.7 mt -80.8 -48.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 mp -54.56 -50.53 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.17 -29.19 70.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.41 -46.89 46.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.85 -50.28 71.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -63.73 -44.98 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.1 t -51.39 -52.95 41.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.16 -40.61 67.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.78 49.35 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.485 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 2.5 m95 -68.53 -41.2 80.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.03 -47.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.51 -51.66 40.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.74 -35.28 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 15.0 t -71.73 -29.11 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -117.23 37.97 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.6 mm-40 -140.69 -53.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 137' ' ' LEU . 30.4 mtmt -101.39 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 16' ' ' PHE . 2.3 tm? -36.83 -55.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -52.17 -54.39 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.97 -34.98 70.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 38.3 t -64.49 -54.48 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.28 -57.18 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -36.71 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.476 0.179 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -163.28 170.43 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.7 169.96 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.13 156.2 16.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.34 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt -86.39 169.47 12.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CZ ' ' A' ' 122' ' ' ARG . 7.1 m120 -121.72 173.57 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.16 134.99 37.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -66.01 84.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -83.21 139.29 33.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' NE2' HG23 ' A' ' 130' ' ' VAL . 35.6 mt-30 -137.23 86.74 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 m -88.28 121.16 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.53 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 8.8 tt -149.17 153.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.5 t -110.14 121.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 35.0 m-85 -110.81 150.59 28.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -79.46 75.95 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.93 178.61 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LYS . 7.3 m -105.28 152.16 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -42.81 -62.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -29.13 22.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -71.15 -55.79 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.89 -35.13 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.0 t-105 -59.46 -48.86 80.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -54.31 -30.86 52.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.46 -7.22 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -138.49 47.67 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -173.07 34.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -141.0 179.56 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 -44.77 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -41.85 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.07 -53.52 36.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 80.6 mt -64.48 -46.18 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.98 -19.9 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.76 9.72 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 5.1 p-90 -176.22 54.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 25.3 t80 -178.79 -70.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 170.39 160.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.28 5.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.405 HD21 ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -161.58 -178.46 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.99 78.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -53.81 161.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.2 p -150.12 121.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.56 65.61 9.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.2 mm-40 -141.11 134.38 29.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.54 141.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.17 24.94 10.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.3 t60 -103.61 72.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 149.81 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -138.69 -177.54 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -105.01 149.39 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.608 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 38' ' ' MET . 95.3 t -135.96 163.15 35.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -126.48 115.31 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 p -127.37 164.05 38.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -29.92 7.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -72.64 -39.21 67.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.56 178.14 35.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 116.84 4.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p -136.91 98.15 10.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 141.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 21.3 m -102.75 161.99 13.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 108.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -141.22 116.0 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.4 135.06 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.57 -56.48 2.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -132.31 146.58 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.9 127.36 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.78 74.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tt0 -44.83 -50.13 26.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.03 54.42 3.65 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.37 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 177.64 -171.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.635 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.91 166.36 33.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 155.88 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 31.9 p90 -156.45 150.98 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 p -95.79 160.04 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -121.64 127.37 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -70.68 178.15 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 82.4 p 37.01 50.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 78' ' ' THR . 3.2 m-20 156.36 110.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.9 53.23 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.417 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 16.1 m0 -118.04 157.54 26.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.85 136.97 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.5 t -124.78 128.87 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -137.39 145.92 43.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -119.2 112.99 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.34 151.55 22.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mp -132.86 146.02 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -141.0 115.76 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -72.57 122.34 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -109.8 -44.02 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 118.61 -170.46 13.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 49.97 30.93 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 m120 64.76 33.55 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLY . 11.4 mttp -128.44 150.51 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -149.11 142.78 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.97 120.77 28.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -105.59 125.5 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.0 m -128.22 106.52 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.1 134.06 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.7 127.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.491 ' CE1' ' SD ' ' A' ' 125' ' ' MET . 5.2 t-80 -131.73 111.74 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.71 -163.92 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 -26.99 2.75 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.414 ' CE3' HD12 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -87.54 -176.9 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -139.05 -70.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -104.58 150.67 38.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -49.98 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.56 145.18 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 31.1 mm -118.61 158.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.414 HD12 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -89.71 155.69 47.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -66.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -52.32 -67.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -51.13 -75.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 10.4 t30 81.03 64.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.62 157.22 19.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 22.3 mttp -51.74 117.15 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -50.49 -26.73 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 p -77.78 -48.19 17.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -55.22 -45.25 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.5 mm -67.33 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -52.03 -50.91 60.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.66 -49.0 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.88 -52.83 59.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -71.13 -35.08 71.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 12.4 t -62.12 -53.39 56.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.13 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.8 8.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.487 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 6.2 m95 -74.07 -39.37 63.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.407 HG23 ' NE2' ' A' ' 12' ' ' GLN . 27.4 t -60.42 -55.15 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -60.62 -52.26 65.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.0 mt -55.38 -36.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 129' ' ' TRP . 4.8 t -67.72 -33.39 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -116.37 41.16 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.9 mm-40 -141.64 -52.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.1 mtmm -108.68 -62.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.571 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 3.3 tm? -36.49 -59.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 45.4 tttm -54.56 -56.65 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -50.71 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.3 t -52.88 -55.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.84 -57.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -49.43 -46.08 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 104' ' ' TRP . 23.1 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.86 145.98 46.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 m-20 -79.92 113.63 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.8 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' ASP . 10.9 ttmt -104.41 132.61 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.27 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -84.71 119.57 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 HD13 ' CE1' ' A' ' 16' ' ' PHE . 14.5 tt -147.56 153.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 96' ' ' GLU . 93.0 t -114.06 118.76 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CE1' HD13 ' A' ' 14' ' ' ILE . 28.8 m-85 -105.45 164.33 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -91.24 71.66 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.5 -179.35 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -105.11 159.14 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.6 tt -55.35 -30.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -70.14 -44.74 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -70.13 -51.99 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG12 HD21 ' A' ' 87' ' ' LEU . 49.5 t -54.48 -35.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.7 t-105 -68.84 -43.64 75.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 t -53.85 -30.65 46.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG13 HG11 ' A' ' 140' ' ' VAL . 69.7 t -76.13 -19.96 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 24' ' ' TRP . 27.5 m -124.4 51.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 p -169.88 31.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -140.91 -178.13 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.1 -41.49 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -41.8 26.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.66 -48.95 82.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.22 -47.6 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.27 -20.43 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.49 2.33 22.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.576 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 29.2 p-90 -173.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 108.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.1 t80 179.56 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.59 158.74 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.8 5.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.677 ' CB ' HG12 ' A' ' 52' ' ' VAL . 2.9 p30 -162.68 172.66 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.63 72.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -43.01 148.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.73 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -138.92 114.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 tp -80.97 74.43 7.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' C ' HD11 ' A' ' 66' ' ' ILE . 3.8 mt-10 -143.99 144.58 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.44 130.57 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.6 70.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.73 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.5 t60 -91.64 126.9 36.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.9 148.5 36.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.3 p90 -140.32 -172.41 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 57.4 m80 -135.57 138.01 42.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.677 HG12 ' CB ' ' A' ' 40' ' ' ASN . 3.4 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.454 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HB3' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.05 166.73 28.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 81.0 m -139.08 169.25 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -145.11 114.71 7.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.04 140.72 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.2 mt -105.47 -55.32 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.05 150.26 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' C ' ' A' ' 45' ' ' GLU . 69.6 mt -129.57 123.81 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -157.1 77.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.08 -51.39 23.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.77 -73.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.46 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -148.75 167.16 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.7 148.85 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 42.0 p90 -156.87 145.09 19.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -91.13 166.14 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -119.92 113.55 20.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.021 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.08 178.6 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m 40.32 38.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 111' ' ' LEU . 30.8 m-20 -167.88 -61.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.51 55.68 1.32 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 18.1 m0 -136.23 169.55 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.58 134.5 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 101' ' ' HIS . 79.8 t -129.99 116.34 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.0 130.02 52.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 13.7 m-85 -107.77 112.44 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.513 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -87.56 154.93 20.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 HG12 ' A' ' 23' ' ' VAL . 5.7 mp -139.32 139.34 37.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -132.0 126.39 33.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.14 108.03 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.31 -45.33 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.38 -170.08 14.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.04 27.83 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 0.81 . . . . 0.0 109.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 69.2 31.73 3.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mttp -128.23 151.58 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.2 m -150.17 145.13 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.5 tt0 -90.18 124.37 34.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.26 128.86 54.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.413 ' CG2' ' HE2' ' A' ' 11' ' ' LYS . 71.1 m -132.05 105.96 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -88.77 117.35 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -114.19 114.69 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.7 t-160 -132.65 113.36 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.88 -138.87 6.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.42 -52.69 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 118' ' ' SER . 0.0 OUTLIER -100.15 170.59 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -70.62 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m170 -90.72 140.86 26.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -75.02 93.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.23 -45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.665 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -50.7 161.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 109' ' ' GLU . 4.6 mm -138.84 142.64 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 79' ' ' ASP . 1.1 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.8 mttt -50.74 125.44 13.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 5.0 p -56.41 -33.7 66.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -68.19 -26.69 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.52 -49.98 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.913 HD11 ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -63.68 -37.11 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -55.21 -46.83 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -73.03 -46.85 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.59 -52.37 63.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 1.5 tpt -67.89 -45.02 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 130' ' ' VAL . 15.7 t -55.14 -52.77 62.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.03 -62.72 5.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 132' ' ' ILE . . . -54.83 -33.09 55.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.766 ' O ' HG23 ' A' ' 133' ' ' VAL . 9.9 m95 -71.74 -42.11 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 126' ' ' SER . 43.7 t -56.82 -51.31 69.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.09 -52.41 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 128' ' ' GLY . 10.9 mt -54.54 -40.64 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 129' ' ' TRP . 46.2 t -66.5 -28.91 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -120.24 40.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.54 -76.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 140' ' ' VAL . 1.7 mttp -83.27 -59.24 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 140' ' ' VAL . 31.4 tp -39.76 -60.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -48.59 -42.59 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -69.86 -29.25 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.754 HG11 HG13 ' A' ' 26' ' ' VAL . 99.5 t -71.35 -54.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.6 t -63.54 -54.03 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -51.05 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 2.6 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -42.13 154.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.3 m-20 -90.16 126.26 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.705 HG22 ' OE1' ' A' ' 12' ' ' GLN . 79.8 mt -60.24 85.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -92.43 132.69 36.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.705 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.7 mp0 -133.22 79.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 98' ' ' THR . 95.9 m -78.54 123.38 27.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.47 HG23 ' CE2' ' A' ' 16' ' ' PHE . 17.2 tt -147.53 152.81 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' A' ' 96' ' ' GLU . 72.7 t -113.0 126.4 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE2' HG23 ' A' ' 14' ' ' ILE . 63.3 m-85 -113.35 164.67 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.0 63.08 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.55 -178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -106.33 153.29 22.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.009 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.25 -33.28 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -71.93 -35.74 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -74.79 -55.77 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG12 HD21 ' A' ' 87' ' ' LEU . 77.7 t -53.65 -38.36 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 17.9 t-105 -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -32.23 60.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 137' ' ' LEU . 76.5 t -72.66 -12.5 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 47.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -172.46 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -145.86 174.8 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.04 -45.63 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -39.49 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.34 -53.26 44.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.42 -46.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.01 -20.13 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 t -75.18 -3.57 33.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.67 ' CH2' HD22 ' A' ' 137' ' ' LEU . 11.3 p-90 -171.84 65.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' MET . 2.4 t80 178.04 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 163.16 158.99 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.6 8.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 52' ' ' VAL . 2.9 p30 -163.18 -170.11 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.95 59.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 86.4 t80 -37.5 141.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.44 125.72 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.64 69.27 9.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -143.44 129.52 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.71 140.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.03 30.41 7.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 1.7 t-80 -106.93 67.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 153.23 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -144.13 -173.55 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.44 144.16 41.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.516 HG22 ' CB ' ' A' ' 40' ' ' ASN . 55.3 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.95 42.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 63.0 m -125.73 160.12 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -139.33 116.65 11.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.41 143.91 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.82 -56.59 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.2 mt -124.43 128.41 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.58 75.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.95 -50.63 25.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 167.58 -74.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.84 -164.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.39 167.01 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.47 151.22 50.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 14.3 p90 -156.85 142.56 17.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.429 ' HA ' HG22 ' A' ' 82' ' ' VAL . 35.3 p -88.68 164.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -125.1 122.3 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -76.85 -177.46 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ASP . 25.7 p 38.78 32.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -158.31 -69.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.02 -22.61 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -66.69 166.87 12.17 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -129.62 134.82 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.2 t -119.05 119.03 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 m -134.28 143.01 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -110.2 171.71 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.46 153.66 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.459 HD21 HG12 ' A' ' 23' ' ' VAL . 4.7 mp -139.17 137.8 36.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -131.05 120.41 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.87 109.66 8.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.83 -39.2 7.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.34 -168.24 12.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 49.2 33.76 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 60.29 33.36 20.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.4 mtmm -124.71 159.66 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -156.3 147.32 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.8 tt0 -91.58 115.03 27.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -100.88 125.89 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 100' ' ' ILE . 69.3 m -132.57 109.13 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.91 127.76 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 98' ' ' THR . 4.1 mp -123.4 118.75 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -128.15 121.34 29.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.585 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.31 -162.59 9.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.8 -37.68 1.33 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 5.3 m95 -53.46 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -133.69 -49.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.1 m170 -143.43 137.4 14.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.03 93.67 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.95 -35.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.53 140.04 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.3 mm -96.93 130.24 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.4 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.59 ' HB2' HD12 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -53.41 120.76 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.542 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 62.8 m -51.11 -57.77 7.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.7 p -45.74 -40.91 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.8 mt -66.37 -46.24 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.4 -47.83 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 10' ' ' ILE . 4.4 ttp180 -51.37 -46.57 62.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -64.66 -52.18 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -54.48 -52.0 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.62 66.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.2 t -52.43 -50.06 63.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -58.82 9.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.94 -36.22 93.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.457 ' HA ' ' CE3' ' A' ' 129' ' ' TRP . 2.3 m95 -63.84 -39.75 94.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -66.27 -36.49 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -75.09 -51.26 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 136' ' ' LYS . 87.7 mt -55.22 -43.13 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.01 -31.05 51.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.448 ' OD1' ' CD1' ' A' ' 14' ' ' ILE . 9.2 m-80 -113.43 36.52 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.4 mm-40 -141.89 -74.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 140' ' ' VAL . 2.4 mttp -80.6 -65.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.67 HD22 ' CH2' ' A' ' 36' ' ' TRP . 8.9 tp -38.78 -54.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -49.4 -48.47 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.6 -29.09 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 136' ' ' LYS . 62.4 t -69.04 -55.16 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.503 ' CG2' HG21 ' A' ' 26' ' ' VAL . 1.4 t -66.36 -56.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.67 -31.83 66.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.685 HD11 ' OG ' ' A' ' 118' ' ' SER . 60.5 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.75 172.06 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -92.97 122.32 35.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 12' ' ' GLN . 35.9 mt -57.69 89.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -93.72 133.38 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.9 mp0 -130.6 88.24 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.6 m -88.2 119.48 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.646 HD12 ' OD1' ' A' ' 134' ' ' ASN . 1.9 tt -145.06 151.25 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' ILE . 52.2 t -105.61 141.18 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.11 156.63 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -89.77 67.06 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.76 178.22 8.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -97.42 156.9 16.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.512 HG23 ' NE2' ' A' ' 21' ' ' GLN . 3.7 tt -54.28 -38.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' NE2' HG23 ' A' ' 20' ' ' ILE . 25.0 mp0 -63.64 -32.18 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -47.85 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -63.31 -35.92 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 26.9 t-105 -61.33 -46.44 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 108.035 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -54.62 -31.56 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 140' ' ' VAL . 91.7 t -74.13 -9.18 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 34.7 m -135.41 47.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 91.5 p -169.04 35.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -147.9 175.74 10.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 110.452 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -97.09 -42.67 7.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -42.95 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.8 -47.81 83.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -71.33 -43.44 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -57.81 -20.67 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -75.74 -4.8 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 137' ' ' LEU . 23.6 p-90 -168.83 64.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' MET . 45.5 t80 -179.49 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 165.14 166.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -169.62 175.4 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -115.59 75.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 86.3 t80 -43.28 154.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.623 HG12 ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.04 133.25 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.9 tp -103.98 69.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 25.7 mt-10 -146.52 130.41 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.16 136.64 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.65 18.36 51.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' ND1' HG21 ' A' ' 43' ' ' VAL . 22.5 t-80 -103.71 97.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.06 151.0 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.623 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -129.44 -171.87 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.94 136.13 49.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 59' ' ' SER . 3.1 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.706 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.56 38.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 6.7 m -137.77 130.46 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -106.36 117.28 33.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 66' ' ' ILE . 48.5 t -59.49 129.17 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.6 mt -91.79 -55.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -136.65 150.3 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.72 HD11 HG11 ' A' ' 63' ' ' VAL . 67.8 mt -133.09 114.92 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.1 m-20 -146.59 79.05 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.2 -51.08 26.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.243 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.5 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 167.62 -72.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.78 -178.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.36 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 150.88 52.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 48.5 p90 -155.8 148.1 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -96.32 159.9 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -116.45 115.04 25.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.96 -178.46 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.3 p 42.95 28.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CZ3' ' A' ' 81' ' ' TRP . 2.4 m-20 -165.46 -54.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 20.21 39.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.507 ' CZ3' ' OD2' ' A' ' 79' ' ' ASP . 17.4 m0 -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.7 134.84 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 101' ' ' HIS . 84.4 t -136.21 135.94 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -144.95 132.55 20.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.88 112.64 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.7 157.28 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 23' ' ' VAL . 4.1 mp -141.77 133.53 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -131.4 125.31 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -84.4 110.76 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.42 -46.29 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 122.38 -169.02 14.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 53.96 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.65 27.44 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -118.42 159.21 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -149.61 141.57 23.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.56 107.29 19.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 137' ' ' LEU . 65.9 t80 -92.75 124.67 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.816 HG22 HD11 ' A' ' 100' ' ' ILE . 52.5 m -130.36 106.75 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 131.09 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 98' ' ' THR . 3.3 mp -126.44 126.1 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.511 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -133.01 107.22 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.64 -166.1 13.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.03 -32.26 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.655 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 2.2 m95 -82.87 154.67 24.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -73.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -100.01 145.95 31.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HA ' ' OG ' ' A' ' 118' ' ' SER . 18.1 Cg_endo -75.01 -29.03 8.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -54.44 10.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 3.8 pt-20 -50.14 155.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 15.3 mm -128.69 142.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.453 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.3 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.2 mttt -51.03 117.65 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.685 ' OG ' HD11 ' A' ' 7' ' ' LEU . 65.2 p -55.72 -43.18 76.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -45.09 83.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 117' ' ' LYS . 67.6 mt -63.64 -46.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.655 HG21 ' CZ2' ' A' ' 104' ' ' TRP . 18.1 mm -61.88 -47.0 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.2 ttp180 -50.76 -45.74 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -47.93 46.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -52.23 63.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -29.87 67.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 16.5 t -71.64 -52.82 16.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.93 -48.56 51.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.07 88.64 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.75 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.3 m95 -59.93 -44.51 94.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.491 HG23 HE21 ' A' ' 12' ' ' GLN . 2.9 t -56.14 -54.74 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -62.31 -52.58 63.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 62.0 mt -54.07 -35.32 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 129' ' ' TRP . 20.8 t -69.82 -33.98 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.646 ' OD1' HD12 ' A' ' 14' ' ' ILE . 10.5 m-80 -115.71 43.72 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.2 mm-40 -143.67 -63.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mttm -95.89 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.56 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 5.9 tp -38.45 -48.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -59.02 -53.98 52.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 26' ' ' VAL . 69.3 t -69.0 -55.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.533 HG23 HG21 ' A' ' 26' ' ' VAL . 1.5 t -64.11 -55.18 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.86 -39.37 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -118.41 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.7 m-20 -116.18 105.99 13.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -42.75 98.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -101.24 137.3 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.51 85.33 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 m -87.35 119.74 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.692 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -150.56 151.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.72 126.33 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 41.9 m-85 -114.52 156.56 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.73 76.52 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -165.35 176.43 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -100.34 158.77 15.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.2 tt -57.36 -33.65 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.83 -37.67 79.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -70.61 -55.17 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.635 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -54.74 -35.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 41.9 t-105 -62.74 -45.17 93.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -58.51 -31.48 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 HG11 ' A' ' 140' ' ' VAL . 73.9 t -76.64 -15.51 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.7 m -128.96 47.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 29' ' ' THR . 92.5 p -167.27 31.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 28' ' ' SER . 2.6 p -153.26 160.17 42.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -78.96 -48.18 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.91 49.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.86 -49.71 57.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 29' ' ' THR . 55.0 mt -63.63 -43.6 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.48 46.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -78.79 0.1 28.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.564 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 27.4 p-90 -176.07 63.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' MET . 66.1 t80 -179.16 -64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 162.28 167.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -159.15 -176.27 5.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -110.84 -19.46 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 53.3 t80 51.96 173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 50' ' ' PHE . 3.9 p -167.93 128.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -95.26 74.67 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE1' ' CD2' ' A' ' 48' ' ' HIS . 35.2 mt-10 -149.47 150.45 32.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 66' ' ' ILE . 42.6 t -77.11 134.01 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.65 24.38 52.85 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.698 ' ND1' HG21 ' A' ' 43' ' ' VAL . 37.4 t-80 -99.86 107.78 19.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.584 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -89.67 141.61 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -125.86 -174.54 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.7 139.42 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 40' ' ' ASN . 18.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.13 7.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 1.7 m -143.59 153.75 42.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 122.62 18.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.42 HG11 ' CG1' ' A' ' 66' ' ' ILE . 96.0 t -65.75 147.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -108.95 -55.11 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -131.65 144.08 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.453 HD12 HG23 ' A' ' 46' ' ' VAL . 73.0 mt -125.26 127.75 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.4 m-20 -160.63 76.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.9 tt0 -44.74 -51.17 22.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 53.91 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 -71.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 177.11 -172.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.51 158.66 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 154.0 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 22.7 p90 -154.8 158.48 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -107.21 168.26 9.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -120.78 119.3 32.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.001 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.4 174.17 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m 39.71 36.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -160.36 -76.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.59 38.27 1.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -118.01 143.2 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.34 131.13 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 65.6 t -126.56 129.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 132.58 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 83' ' ' VAL . 9.9 m-85 -111.9 112.67 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -83.15 156.95 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 23' ' ' VAL . 5.6 mp -139.93 138.34 35.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.634 ' HD2' HD21 ' A' ' 90' ' ' LEU . 1.6 ttmm -134.2 131.65 38.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.12 116.61 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.634 HD21 ' HD2' ' A' ' 88' ' ' LYS . 31.9 mt -104.23 -45.44 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.13 -170.33 13.22 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.62 27.89 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 68.27 30.11 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 91' ' ' GLY . 25.7 mttm -122.97 152.16 41.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.69 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.5 m -149.37 140.13 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.466 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -83.5 120.14 25.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -105.54 120.9 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -125.47 109.79 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 tt -89.48 115.84 27.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.75 114.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 113.54 18.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.74 -155.59 7.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.99 -24.78 5.64 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 6.0 m95 -75.81 -171.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -144.43 -92.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.67 144.41 30.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.641 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.22 21.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -83.18 -60.81 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 110' ' ' ILE . 10.6 pt-20 -49.98 164.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 109' ' ' GLU . 7.6 mm -131.54 141.55 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 19.6 mttt -52.09 124.23 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 2.5 t -54.53 -46.72 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.459 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 30.6 p -43.34 -35.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.21 -40.49 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.483 HG21 ' CH2' ' A' ' 104' ' ' TRP . 42.8 mm -64.99 -50.12 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.459 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -64.28 -25.41 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -49.52 25.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -45.91 75.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -44.83 95.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 130' ' ' VAL . 45.5 t -63.35 -51.26 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -48.93 -40.96 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.69 -42.28 11.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 133' ' ' VAL . 3.9 m95 -57.23 -40.3 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 126' ' ' SER . 68.5 t -59.76 -46.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -69.72 -52.11 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.71 -38.52 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.6 t -68.34 -29.77 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -116.7 37.22 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.6 mm-40 -141.05 -69.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.996 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.6 mtmm -87.12 -57.12 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 137' ' ' LEU . 1.2 tm? -38.93 -58.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -56.83 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -52.24 -35.98 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 136' ' ' LYS . 21.7 t -66.19 -55.38 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.52 HG13 ' HZ1' ' A' ' 22' ' ' LYS . 2.1 t -62.67 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.1 -28.25 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 107' ' ' PRO . 9.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -54.47 160.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.57 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.0 mt -83.62 94.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.8 148.15 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -148.99 83.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 98' ' ' THR . 47.2 m -82.4 121.21 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.5 tt -143.14 153.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.73 122.72 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 138' ' ' LYS . 12.6 m-85 -110.9 163.13 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -92.94 70.08 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.24 -178.48 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -104.79 151.4 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.7 tt -47.96 -36.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -68.47 -41.96 79.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -57.52 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -53.68 -40.51 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 27' ' ' VAL . 34.5 t-105 -62.88 -44.37 96.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -32.43 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -76.75 -14.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' TRP . 5.7 m -128.76 45.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.9 p -165.85 30.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 p -140.65 -178.85 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -43.88 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -45.55 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.17 -43.85 63.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.07 -55.0 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.31 -20.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -15.28 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HD23 ' A' ' 137' ' ' LEU . 9.0 p-90 -143.87 -63.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' A' ' 38' ' ' MET . 46.2 t80 -46.97 -87.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.414 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -174.3 167.22 2.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.83 9.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.819 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -163.35 171.05 16.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -99.43 46.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASP . 89.8 t80 -34.44 136.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.33 136.36 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.49 67.37 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -144.31 136.85 26.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.49 139.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.61 31.74 9.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 t60 -102.44 69.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.14 145.75 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.3 p90 -138.57 -174.52 3.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.18 145.99 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 40' ' ' ASN . 84.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.524 ' HG ' ' HG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.27 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 9.0 m -116.02 155.11 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -134.8 113.78 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 66' ' ' ILE . 48.5 t -61.39 138.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.42 -54.15 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.21 147.46 52.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 63' ' ' VAL . 73.8 mt -131.12 125.71 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -157.1 78.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.98 -50.98 24.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.4 3.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.7 -73.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.77 -173.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.58 162.79 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.26 154.61 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 47.1 p90 -155.52 153.19 29.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.8 p -93.31 168.94 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -130.02 113.13 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASP . 2.0 m-20 -69.58 -176.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.524 ' HG1' ' HG ' ' A' ' 59' ' ' SER . 70.6 p 37.6 33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.0 m-20 -166.09 -71.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 110.19 -3.17 29.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 21.3 m0 -77.82 146.24 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 75' ' ' SER . 7.0 t -116.29 135.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 64.0 t -124.02 128.56 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 p -136.85 138.56 40.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' A' ' 83' ' ' VAL . 10.9 m-85 -115.19 112.69 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.64 153.15 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.88 136.18 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 95' ' ' THR . 1.7 ttpt -134.85 127.39 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -79.94 119.27 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.8 mt -108.71 -35.85 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 105.74 -169.37 15.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 47.87 35.12 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 60.17 36.69 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mtmt -130.74 147.32 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 88' ' ' LYS . 6.5 m -148.16 144.01 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.19 120.18 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -109.24 117.41 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.606 HG23 ' OG1' ' A' ' 13' ' ' THR . 16.7 m -124.15 109.28 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -91.26 130.9 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.92 120.39 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.507 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -121.64 116.29 24.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.5 -155.42 6.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.91 -23.36 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.754 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 33.6 m95 -64.24 -178.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -132.85 -61.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 147.18 43.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.489 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -32.89 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.0 149.02 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 116' ' ' ALA . 19.6 mm -108.92 154.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.754 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -50.73 128.65 21.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.561 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 11.3 m -64.5 -39.81 94.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 p -54.33 -43.54 71.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.01 -46.5 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.501 HG21 ' CZ2' ' A' ' 81' ' ' TRP . 5.3 mm -68.98 -39.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.0 mtp180 -54.59 -47.37 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -72.15 -48.76 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -50.91 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.4 tpt -69.86 -34.83 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 130' ' ' VAL . 2.9 t -58.77 -53.83 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.32 -57.02 16.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.68 -40.42 48.27 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.656 ' O ' HG23 ' A' ' 133' ' ' VAL . 17.7 m95 -67.91 -42.29 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 126' ' ' SER . 69.1 t -58.0 -47.01 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -70.48 -52.7 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.65 -34.73 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 129' ' ' TRP . 12.2 t -70.67 -33.38 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -116.78 41.73 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.8 mm-40 -142.04 -57.08 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 140' ' ' VAL . 21.7 mtmt -108.01 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.7 tm? -35.96 -64.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' ' CE1' ' A' ' 16' ' ' PHE . 7.6 tttt -51.01 -49.34 60.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.38 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 136' ' ' LYS . 36.4 t -59.53 -55.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -62.24 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.475 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.9 OUTLIER -51.92 -44.58 63.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.938 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.616 HD22 ' HD3' ' A' ' 122' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.73 169.12 6.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.87 145.98 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' ILE . 9.1 mt -76.43 84.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -85.29 136.74 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -133.4 79.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.526 ' OG1' HG23 ' A' ' 98' ' ' THR . 89.7 m -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 tt -150.77 151.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.54 121.49 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -107.94 156.37 19.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -86.12 76.43 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -167.11 174.62 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.7 m -99.23 160.91 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.4 tt -55.64 -43.34 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -65.01 -32.41 74.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.1 ttpp -75.55 -55.15 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.04 -35.36 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.1 t-105 -65.55 -44.68 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -30.83 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' CG1' ' A' ' 140' ' ' VAL . 49.3 t -76.64 -15.22 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 27' ' ' VAL . 3.3 m -131.34 52.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 p -166.39 30.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -141.69 163.79 31.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.53 -51.68 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -39.51 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.79 -42.43 68.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.48 -53.23 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.07 -20.31 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -50.59 -26.53 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.7 p-90 -132.9 -65.74 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' TRP . 42.0 t80 -34.7 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -175.49 168.75 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.855 ' HB2' HG12 ' A' ' 52' ' ' VAL . 4.4 p30 -157.95 -163.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.42 69.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 21.0 t80 -48.0 163.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.66 HG21 ' ND1' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -158.07 121.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -86.22 76.1 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.9 mt-10 -149.92 134.74 17.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 t -73.83 128.2 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 9.0 87.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.66 ' ND1' HG21 ' A' ' 43' ' ' VAL . 7.4 t-80 -91.41 127.44 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 62' ' ' LYS . 12.9 mt-10 -106.31 169.36 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 11.2 p90 -168.73 -176.71 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 33.9 t-80 -118.42 144.05 46.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' A' ' 40' ' ' ASN . 8.8 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.828 ' O ' HG22 ' A' ' 52' ' ' VAL . 49.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.95 -174.43 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 1.7 m -148.52 161.38 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -143.62 123.08 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 66' ' ' ILE . 84.3 t -70.68 135.77 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.03 -52.57 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.4 146.57 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HG11 ' A' ' 63' ' ' VAL . 73.0 mt -130.94 114.96 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -146.13 83.79 1.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -48.5 -50.86 56.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.01 54.29 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 168.2 -73.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.94 -177.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -143.5 168.22 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.24 151.59 39.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 25.6 p90 -156.18 145.67 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.9 p -97.18 160.16 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.542 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -111.31 120.94 43.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.42 177.79 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m 38.3 34.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.45 -61.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.03 42.19 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -126.85 143.91 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.25 141.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 101' ' ' HIS . 58.8 t -137.29 133.45 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.1 p -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.765 ' CE1' HD12 ' A' ' 99' ' ' LEU . 2.4 m-85 -125.66 116.27 21.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.29 151.2 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mp -127.67 140.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 95' ' ' THR . 3.0 ttpt -133.58 124.9 27.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.7 101.67 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.61 -48.01 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.41 -169.55 12.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 50.4 29.9 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.5 32.82 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' GLY . 26.0 mttt -128.95 155.57 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.3 m -153.74 141.44 19.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.3 115.19 21.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.58 126.99 48.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 13' ' ' THR . 17.7 m -132.05 110.41 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -96.63 121.76 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.27 122.25 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.62 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.5 t-160 -131.92 111.54 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.41 -144.41 4.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.59 -39.06 2.2 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 8.4 m95 -52.89 176.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 1.2 t60 -136.1 146.0 54.65 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.99 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.37 -24.14 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.67 150.82 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 117' ' ' LYS . 27.5 mm -108.0 158.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 110' ' ' ILE . 12.7 mttp -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.612 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 54.6 p -52.92 -33.56 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.3 p -60.91 -40.04 91.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 10.7 mt -62.25 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.33 -45.23 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.616 ' HD3' HD22 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -55.63 -44.71 77.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.76 -53.14 44.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.35 -48.44 71.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 3.4 mmt -69.81 -47.83 61.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 41.4 t -52.11 -51.82 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.44 -62.29 6.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -53.83 -23.13 21.18 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.459 ' CD1' ' O ' ' A' ' 125' ' ' MET . 9.1 m95 -77.98 -46.06 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t -54.48 -34.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.9 -51.49 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.8 mt -54.84 -43.75 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.77 -28.6 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -116.59 36.74 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.3 mm-40 -141.57 -81.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.986 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.9 mttp -79.47 -56.37 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -37.74 -41.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 16.1 tttm -68.39 -55.74 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -26.71 57.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 136' ' ' LYS . 16.0 t -72.51 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.09 -56.26 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.08 -38.05 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 107' ' ' PRO . 24.5 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.35 168.3 18.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 100' ' ' ILE . 41.8 m-20 -92.65 133.18 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 122' ' ' ARG . 13.7 mt -62.36 84.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' ASP . 33.1 ttmt -89.36 138.26 31.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -137.5 90.93 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -85.04 119.0 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -146.91 153.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -109.52 127.6 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -109.66 143.88 38.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -78.95 62.36 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.17 -171.75 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -111.17 153.13 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -49.47 -48.97 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -56.21 -33.51 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -77.21 -57.44 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.671 HG12 HD21 ' A' ' 87' ' ' LEU . 31.8 t -53.49 -36.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 29.0 t-105 -61.75 -48.13 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -54.81 -30.92 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG11 ' CD1' ' A' ' 137' ' ' LEU . 24.2 t -74.69 -11.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 23' ' ' VAL . 14.7 m -134.56 46.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -163.57 29.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.8 p -144.59 174.13 11.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.28 -47.12 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -49.59 58.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -53.12 35.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' THR . 26.4 mt -63.48 -47.52 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.733 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.47 27.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -1.72 29.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.576 ' CH2' HD22 ' A' ' 137' ' ' LEU . 25.2 p-90 -172.21 63.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.026 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' MET . 64.0 t80 -178.69 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.22 165.86 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 121.3 6.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.496 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.92 169.37 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -109.64 68.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -47.12 148.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.815 HG21 ' CG ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -132.31 142.92 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.72 75.99 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.73 131.91 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.67 130.41 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.5 2.23 87.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.815 ' CG ' HG21 ' A' ' 43' ' ' VAL . 1.6 t60 -82.55 124.64 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.45 166.46 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 9.3 p90 -167.51 -178.02 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.93 159.75 35.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 59' ' ' SER . 2.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 52' ' ' VAL . 3.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.36 18.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 12.9 m -141.52 157.94 44.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -133.13 124.96 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 66' ' ' ILE . 42.3 t -63.83 141.55 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.44 -56.89 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -140.69 149.26 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 63' ' ' VAL . 61.9 mt -128.69 124.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -157.02 77.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -45.74 -50.73 32.45 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.04 54.18 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.38 -73.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.54 -172.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.83 166.09 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.95 151.89 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 p90 -157.2 145.27 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.6 p -93.18 170.27 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.2 t90 -123.78 120.13 31.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -80.47 -179.63 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 39.64 32.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -162.78 -61.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.66 35.22 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' TRP . 22.1 m0 -111.74 161.47 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.37 140.54 48.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 99.1 t -134.47 126.6 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -140.06 134.2 31.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.711 ' CE1' HD12 ' A' ' 99' ' ' LEU . 6.6 m-85 -114.74 114.62 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.667 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -84.33 153.37 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 HG12 ' A' ' 23' ' ' VAL . 7.2 mp -136.43 139.93 42.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -136.21 122.38 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.83 106.85 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.22 -46.41 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.19 -171.98 16.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 48.18 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 36.07 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.2 mtmt -133.14 149.02 52.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -147.54 145.72 29.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.67 120.05 32.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.57 133.78 50.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 100' ' ' ILE . 20.3 m -131.64 105.71 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.711 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -89.22 115.7 26.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 98' ' ' THR . 2.8 mp -118.29 121.72 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -128.74 109.65 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.86 -159.41 9.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.2 -35.36 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 111' ' ' LEU . 4.1 m95 -67.24 -169.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.86 -79.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -102.89 147.6 34.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.575 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.99 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.16 -48.21 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.33 152.25 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -125.67 149.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.8 mttt -51.43 118.26 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.536 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -60.03 -23.79 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 90.8 p -75.95 -35.61 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 117' ' ' LYS . 97.4 mt -76.03 -42.49 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.496 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.4 mm -60.84 -40.57 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.657 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.13 -49.25 78.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.73 -45.95 80.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -51.67 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.404 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -67.36 -44.19 79.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 37.1 t -63.18 -52.17 63.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.77 -52.98 23.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.25 75.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.582 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.5 m95 -78.33 -39.08 40.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.63 -43.05 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.49 -51.78 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.76 -40.05 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 129' ' ' TRP . 26.7 t -66.83 -32.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -114.64 40.0 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.3 mm-40 -141.41 -73.25 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mtmm -81.01 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.642 ' CD1' HG11 ' A' ' 26' ' ' VAL . 10.6 tp -39.32 -52.7 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.66 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.5 t -66.42 -55.27 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.11 -57.18 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.96 -39.11 73.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 107' ' ' PRO . 24.5 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -139.41 -170.58 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -102.07 114.48 28.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 122' ' ' ARG . 9.1 mt -48.38 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASP . 31.1 ttmt -96.13 145.81 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.614 ' OE1' HG22 ' A' ' 130' ' ' VAL . 32.4 mt-30 -147.65 92.76 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.421 ' CG2' ' OE2' ' A' ' 96' ' ' GLU . 28.2 m -88.02 124.6 33.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.38 154.78 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.27 123.8 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' HB3' HG11 ' A' ' 141' ' ' VAL . 27.8 m-85 -107.22 152.37 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.39 71.87 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.82 -173.68 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -110.01 158.92 17.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 3.2 tt -53.1 -39.77 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -58.79 -43.87 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -52.23 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 27' ' ' VAL . 57.8 t -56.49 -35.78 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HA ' HG22 ' A' ' 27' ' ' VAL . 37.1 t-105 -68.45 -50.39 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -34.3 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 137' ' ' LEU . 18.8 t -75.02 -22.49 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG22 ' HA ' ' A' ' 24' ' ' TRP . 8.1 m -120.35 45.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -165.6 31.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.2 p -142.18 -176.23 4.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -108.45 -35.35 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -42.67 20.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.73 -53.27 35.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 60.5 mt -60.51 -46.54 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -55.57 -20.43 13.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 8.36 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.644 ' CH2' HD22 ' A' ' 137' ' ' LEU . 9.8 p-90 -172.67 54.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -178.28 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 167.56 164.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.32 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 6.9 p30 -158.4 175.38 13.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.32 62.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 72.5 t80 -37.72 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.0 123.89 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -90.22 80.8 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -154.23 131.64 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HD12 ' A' ' 66' ' ' ILE . 40.9 t -68.64 130.26 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.39 89.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.0 151.89 23.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.64 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.93 170.28 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.1 p90 -144.99 147.58 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.57 135.64 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.578 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 59' ' ' SER . 2.6 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 21.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 54.5 m -106.07 147.41 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -124.42 127.55 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 66' ' ' ILE . 32.8 t -65.26 124.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.18 -56.18 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -133.89 147.6 51.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.544 HD11 HG11 ' A' ' 63' ' ' VAL . 72.9 mt -126.88 127.88 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -161.25 77.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.61 -51.25 29.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.05 54.43 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 168.43 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.24 -172.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.55 170.54 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.82 157.2 44.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 20.9 p90 -156.99 153.16 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' CYS . 33.4 p -105.02 162.87 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -117.96 114.15 22.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -72.81 175.27 6.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 78' ' ' THR . 1.0 OUTLIER 41.43 32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -157.38 -71.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.88 29.77 4.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -107.76 146.35 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.83 129.89 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 47.9 t -130.25 137.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -147.28 142.26 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.58 113.34 24.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.89 151.83 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.3 mp -129.38 142.22 50.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -135.72 125.89 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.32 103.61 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 96' ' ' GLU . 51.5 mt -92.7 -40.33 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 102.96 -171.26 20.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 49.21 34.96 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.77 34.23 14.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mtmm -131.77 145.95 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.88 145.02 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -91.13 117.62 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -104.46 127.18 52.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 HD11 ' A' ' 100' ' ' ILE . 23.8 m -130.7 108.56 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.38 131.6 36.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.523 HD11 HG22 ' A' ' 98' ' ' THR . 3.4 mp -128.08 126.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.21 106.92 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.28 -168.29 13.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.45 -9.6 5.3 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.817 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.8 m95 -103.98 178.56 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -140.79 -78.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m80 -100.29 141.97 23.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.612 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 -20.7 16.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -54.68 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.13 164.12 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 111' ' ' LEU . 3.9 mm -126.83 163.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.817 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -50.59 120.05 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.551 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.3 m -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.0 p -42.86 -41.69 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.56 -39.37 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.562 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.6 mm -57.69 -49.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.9 ptm180 -66.42 -25.53 66.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 15.9 t0 -72.8 -51.95 16.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.99 -39.14 91.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -50.3 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 130' ' ' VAL . 27.5 t -54.48 -52.78 60.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.14 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.22 -36.65 93.49 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.1 m95 -61.27 -41.61 97.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.614 HG22 ' OE1' ' A' ' 12' ' ' GLN . 53.0 t -61.86 -52.11 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -62.63 -52.38 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.5 mt -55.0 -40.78 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -65.78 -29.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.99 41.26 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.5 mm-40 -142.44 -56.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 140' ' ' VAL . 20.3 mttm -101.56 -72.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.644 HD22 ' CH2' ' A' ' 36' ' ' TRP . 16.2 tp -37.35 -41.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 37.1 tttm -60.62 -55.09 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.94 -30.11 71.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 136' ' ' LYS . 71.6 t -63.46 -55.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.2 t -72.55 -41.56 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 4.9 tt0 -67.74 -21.3 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 104' ' ' TRP . 15.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -71.89 153.12 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 100' ' ' ILE . 4.3 m-20 -77.72 133.15 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.439 HD11 ' CB ' ' A' ' 122' ' ' ARG . 23.9 mt -60.63 84.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASP . 22.9 ttmt -88.83 130.62 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.879 ' OE1' HG22 ' A' ' 130' ' ' VAL . 13.9 mt-30 -130.72 82.78 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -81.35 123.88 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 tt -149.96 151.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.37 126.64 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -113.27 158.42 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -85.95 75.67 9.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -168.37 172.35 8.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -95.25 156.12 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.33 -35.81 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -64.02 -45.31 89.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -65.61 -56.21 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 27' ' ' VAL . 90.2 t -52.2 -45.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CZ3' HD22 ' A' ' 72' ' ' LEU . 27.2 t-105 -57.23 -46.74 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -31.64 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.617 HG13 HG11 ' A' ' 140' ' ' VAL . 74.0 t -77.45 -0.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 23' ' ' VAL . 31.5 m -144.65 40.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 97.8 p -160.7 35.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 p -149.96 176.77 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -46.36 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -39.7 28.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.54 -46.04 66.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 42' ' ' PHE . 61.9 mt -75.13 -46.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.56 -20.77 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -72.7 -4.63 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 17.4 p-90 -173.45 66.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -179.61 -70.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.5 mtm 171.16 165.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.93 178.13 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.09 72.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 78.0 t80 -40.22 146.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 1.2 p -135.56 128.2 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 44' ' ' LEU . 9.6 tp -95.66 66.03 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -141.58 136.02 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.23 137.41 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.25 25.61 54.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.443 ' ND1' HG21 ' A' ' 43' ' ' VAL . 14.3 t-80 -110.38 86.74 2.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.586 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 152.13 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.4 p90 -130.16 -173.61 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.66 136.79 53.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG12 ' HB3' ' A' ' 40' ' ' ASN . 2.1 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -111.45 136.51 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 115.87 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 66' ' ' ILE . 87.6 t -61.99 130.02 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.47 -57.03 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.48 148.9 49.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.966 HD11 HG11 ' A' ' 63' ' ' VAL . 81.0 mt -137.45 113.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 5.8 m-20 -147.91 80.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.23 -51.15 26.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.06 54.57 3.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.01 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 177.25 -173.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -149.23 165.83 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 151.7 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 31.0 p90 -157.07 147.7 21.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 82' ' ' VAL . 41.9 p -92.56 159.38 15.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.71 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 108.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.51 -175.9 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 p 46.17 29.65 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.23 -72.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.19 2.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 m0 -107.35 166.77 10.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.8 t -135.65 137.11 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 52.2 t -133.78 128.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.8 t -136.2 133.43 37.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' HD13 ' A' ' 99' ' ' LEU . 53.3 m-85 -104.82 112.94 26.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.26 154.51 25.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -142.9 129.47 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -125.95 135.04 51.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.52 109.54 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -97.53 -47.45 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.41 -170.13 14.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.85 24.77 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.253 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.93 30.8 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLY . 22.1 mttt -123.4 161.41 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -154.94 146.59 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.62 110.57 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -100.47 126.15 46.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.789 HG22 HD11 ' A' ' 100' ' ' ILE . 56.4 m -131.8 116.89 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.523 HD13 ' CE1' ' A' ' 85' ' ' PHE . 2.8 tp -97.63 123.68 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.789 HD11 HG22 ' A' ' 98' ' ' THR . 3.6 mp -123.82 124.69 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.5 t-160 -128.11 109.49 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.89 -171.88 15.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.32 -36.46 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 0.9 OUTLIER -78.69 -170.21 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -147.39 -76.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -106.73 134.37 19.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.555 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.97 -53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 141.22 55.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.506 HD11 ' HG2' ' A' ' 117' ' ' LYS . 10.7 mm -96.65 161.0 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.6 OUTLIER -54.13 129.95 36.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 6.3 m -50.51 -51.75 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 11.8 p -48.15 -35.67 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.6 mt -78.7 -29.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 116' ' ' ALA . 45.5 mm -75.29 -50.17 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.43 -25.29 67.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -50.78 19.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -42.33 84.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -66.73 -45.92 77.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 130' ' ' VAL . 25.8 t -59.09 -53.18 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.52 -58.75 7.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.58 -34.29 69.24 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.785 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.3 m95 -68.77 -45.26 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.879 HG22 ' OE1' ' A' ' 12' ' ' GLN . 75.4 t -54.97 -48.99 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.25 -52.26 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.45 -32.72 25.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 129' ' ' TRP . 44.7 t -74.33 -32.79 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -115.84 40.43 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 6.1 mm-40 -141.15 -68.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.6 mttp -91.48 -67.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 18.4 tp -39.01 -45.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -58.45 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.74 -29.77 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.3 t -64.51 -55.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.597 HG23 HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -71.96 -54.54 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.12 -40.2 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 104' ' ' TRP . 7.7 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -119.32 171.98 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.41 125.55 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 10' ' ' ILE . 41.0 mt -60.26 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -91.06 132.89 35.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -128.66 89.52 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.42 HG23 ' OE1' ' A' ' 96' ' ' GLU . 76.7 m -82.32 123.99 29.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 97' ' ' PHE . 19.3 tt -150.61 154.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.18 132.66 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' HB3' HG11 ' A' ' 141' ' ' VAL . 24.9 m-85 -120.41 149.79 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -80.15 67.86 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.45 177.81 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -103.67 157.57 16.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.778 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.9 tt -49.7 -44.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -58.21 -48.2 81.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.719 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -61.27 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 HD21 ' A' ' 87' ' ' LEU . 97.1 t -53.48 -35.65 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.7 t-105 -63.03 -48.82 77.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 t -54.5 -31.41 55.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 137' ' ' LEU . 3.6 t -73.92 -5.8 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.13 43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -162.61 29.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -138.98 161.58 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.57 -44.3 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -42.9 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.73 -52.08 48.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.13 -43.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.89 -20.54 37.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -4.85 46.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 16.9 p-90 -167.18 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' MET . 8.7 t80 -178.74 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 161.26 165.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.83 5.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.34 -178.63 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -121.26 78.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.43 163.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 48' ' ' HIS . 1.4 p -153.14 143.1 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -111.48 78.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -156.46 123.11 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.541 HG23 HD12 ' A' ' 66' ' ' ILE . 39.6 t -60.37 127.39 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.2 2.98 85.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.528 ' CG ' HG21 ' A' ' 43' ' ' VAL . 14.8 t-80 -97.27 136.02 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.584 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.56 157.42 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.4 p90 -138.07 160.12 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.07 144.8 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.545 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.62 38.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 72.1 m -130.86 143.82 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -123.54 126.47 46.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.872 HG11 HD11 ' A' ' 66' ' ' ILE . 75.2 t -65.14 134.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 75' ' ' SER . 96.4 mt -99.99 -54.3 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -137.48 146.02 43.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.872 HD11 HG11 ' A' ' 63' ' ' VAL . 69.7 mt -131.36 130.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.8 m-20 -163.01 81.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.7 tt0 -47.4 -50.95 46.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.51 -73.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.58 -175.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 169.74 17.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.86 150.18 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 34.4 p90 -153.43 145.59 23.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 64' ' ' LEU . 82.2 p -92.23 164.17 13.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -122.08 120.39 34.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.053 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.7 -175.06 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p 38.22 41.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.18 -82.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.8 1.44 8.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -82.99 155.71 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.1 t -122.84 137.32 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.591 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 97.5 t -128.45 120.98 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -137.0 145.81 44.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CE1' ' CD1' ' A' ' 99' ' ' LEU . 45.6 m-85 -115.14 113.3 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.686 ' C ' HD12 ' A' ' 87' ' ' LEU . 16.4 m-20 -85.4 153.87 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 86' ' ' ASP . 6.3 mp -138.41 140.56 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -135.27 125.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.74 113.33 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.86 -45.76 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.6 -171.63 14.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.9 25.54 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.95 30.29 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.7 mtmm -123.11 153.75 39.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.778 HG21 ' HA ' ' A' ' 20' ' ' ILE . 90.5 m -148.01 141.43 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.42 ' OE1' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -87.58 113.64 23.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 137' ' ' LEU . 1.9 t80 -99.13 127.67 45.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.3 m -133.28 107.2 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.444 ' CD1' ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -90.08 122.54 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 mp -118.46 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -131.15 115.6 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.34 -170.6 14.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.77 -32.03 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.593 ' HB2' HD13 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -93.33 161.61 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -119.97 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.534 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 80.1 m80 -108.38 147.47 35.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' PRO . 11.5 t70 77.11 -56.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -58.8 128.73 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.5 mm -81.72 156.76 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.439 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.613 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.697 ' O ' HD12 ' A' ' 121' ' ' ILE . 3.2 mttp -52.2 126.56 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.581 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 34.1 m -61.42 -51.49 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 10.1 p -44.63 -27.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.66 -50.83 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 117' ' ' LYS . 2.3 mp -53.75 -50.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.82 -29.7 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -39.53 65.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -74.45 -48.68 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 129' ' ' TRP . 3.0 ttt -62.94 -43.46 98.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 31.3 t -56.61 -52.3 65.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.35 7.19 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.04 -35.36 83.5 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 125' ' ' MET . 2.5 m95 -63.83 -43.06 97.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.39 -53.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.52 -50.87 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.8 mt -54.31 -47.48 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.53 -29.43 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.05 35.87 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.96 -65.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' VAL . 50.3 mtmt -86.26 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 97' ' ' PHE . 26.0 tp -37.05 -46.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -54.15 -56.8 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.22 -30.26 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 136' ' ' LYS . 51.8 t -64.34 -55.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.719 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 1.8 t -65.66 -56.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.01 -32.06 63.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -109.96 169.38 8.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.07 121.88 37.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -56.88 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ASP . 8.2 ttmt -94.41 132.24 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -130.31 85.44 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.6 m -80.17 120.47 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 97' ' ' PHE . 18.0 tt -144.11 152.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' HG3' ' A' ' 96' ' ' GLU . 40.2 t -115.08 121.21 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' HG11 ' A' ' 141' ' ' VAL . 30.0 m-85 -106.71 157.06 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.4 66.19 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -155.12 176.75 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -96.12 160.27 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -54.67 -41.83 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' NE2' ' OE2' ' A' ' 68' ' ' GLU . 20.9 mm100 -66.05 -35.74 81.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.2 ttpp -69.06 -56.38 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 HD21 ' A' ' 87' ' ' LEU . 74.5 t -58.93 -40.54 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 36.0 t-105 -57.52 -45.29 85.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -57.35 -30.72 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 ' CG1' ' A' ' 140' ' ' VAL . 93.1 t -79.13 0.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.8 m -147.61 47.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -164.6 29.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -144.84 -176.53 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -104.35 -34.11 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -40.75 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.59 -53.55 40.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -61.35 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -19.8 7.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.49 6.67 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 11.5 p-90 -175.25 60.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' O ' ' SD ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 176.67 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 168.48 160.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.11 11.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' PHE . 5.4 t0 -108.5 59.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 88.2 t80 -37.54 143.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 50' ' ' PHE . 3.4 p -132.54 131.95 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -96.62 73.76 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -145.3 147.67 32.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.09 134.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.44 29.38 30.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 2.5 t-80 -98.51 112.81 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.568 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.1 154.26 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -147.65 -175.25 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.57 137.58 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.73 26.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 94.9 m -148.51 157.54 43.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -138.64 128.1 24.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 66' ' ' ILE . 54.5 t -64.67 142.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.68 -53.48 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -135.89 156.72 48.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 63' ' ' VAL . 66.8 mt -137.11 133.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.7 m-20 -166.26 76.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.6 tt0 -44.83 -50.64 24.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.29 3.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.28 -71.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.34 -171.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 161.41 42.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 157.15 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.477 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 17.3 p90 -156.98 142.26 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.8 p -90.25 159.79 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -116.76 115.22 25.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.987 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.7 t0 -79.03 177.75 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.8 -61.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 81.7 m-20 -79.07 -70.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.76 49.5 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -126.6 158.16 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -123.46 134.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 101' ' ' HIS . 62.1 t -131.46 141.43 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.5 p -149.97 147.71 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.753 ' CE1' HD12 ' A' ' 99' ' ' LEU . 7.8 m-85 -121.11 114.37 21.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -82.72 149.87 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -133.96 128.16 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -127.26 118.82 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.15 111.44 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 96' ' ' GLU . 21.5 mt -97.75 -40.92 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.07 -168.85 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 48.95 33.89 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.96 34.35 19.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.5 mtmm -128.73 150.42 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.9 m -144.66 149.49 35.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.662 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.8 tt0 -97.99 109.25 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 85' ' ' PHE . 68.3 t80 -98.54 130.37 45.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -132.67 109.29 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.1 tt -89.91 120.66 31.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.08 130.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.479 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.1 t-160 -131.79 109.32 10.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.12 -172.7 16.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.28 -22.32 4.22 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.852 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -87.22 174.0 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.4 -86.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 140.59 23.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -6.63 18.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -45.61 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.68 125.27 25.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 116' ' ' ALA . 7.1 mm -94.06 144.84 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.852 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.595 ' HB2' HD12 ' A' ' 120' ' ' ILE . 48.8 mttt -51.95 123.9 11.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.542 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 26.5 m -62.9 -45.78 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 52.4 p -49.47 -29.13 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.595 HD12 ' HB2' ' A' ' 117' ' ' LYS . 65.4 mt -79.61 -35.73 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.439 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.1 mm -66.57 -50.43 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -63.12 -25.32 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.2 -46.22 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.01 -49.74 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -51.13 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' VAL . 46.4 t -55.51 -48.14 75.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.92 -55.67 24.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.58 -20.99 70.48 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 133' ' ' VAL . 7.7 m95 -78.79 -37.98 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' SER . 43.8 t -59.11 -46.15 92.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.01 -51.36 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.6 mt -55.05 -39.02 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 129' ' ' TRP . 22.0 t -67.59 -33.21 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.69 39.24 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.2 mm-40 -141.35 -69.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 140' ' ' VAL . 39.3 mtmt -80.87 -68.62 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 136' ' ' LYS . 2.3 tt -38.76 -47.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 9.4 tttm -52.96 -52.09 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -68.49 -28.63 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 136' ' ' LYS . 40.9 t -69.08 -55.0 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 26' ' ' VAL . 2.2 t -71.71 -56.88 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 10.1 tt0 -54.71 -35.52 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 104' ' ' TRP . 3.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 149.04 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -82.45 118.24 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 122' ' ' ARG . 14.1 mt -54.51 90.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.2 ttpt -98.35 128.48 44.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.606 HE22 ' N ' ' A' ' 130' ' ' VAL . 7.3 mt-30 -124.87 87.07 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -84.47 122.11 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' HZ1' ' A' ' 138' ' ' LYS . 18.0 tt -149.46 153.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 96' ' ' GLU . 45.4 t -113.08 121.84 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 141' ' ' VAL . 33.8 m-85 -106.84 141.8 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.64 62.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -150.54 -171.7 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -111.14 161.63 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.3 -41.34 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -65.49 -30.28 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -54.46 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.814 HG12 HD21 ' A' ' 87' ' ' LEU . 24.3 t -55.78 -36.31 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t-105 -61.06 -46.68 89.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -56.6 -31.14 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.61 HG13 HG11 ' A' ' 140' ' ' VAL . 55.6 t -77.84 -7.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.552 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 17.8 m -135.42 43.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -165.93 34.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 p -141.27 168.3 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.78 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -37.95 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.78 -52.76 40.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.25 -51.85 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.06 -20.69 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.49 -7.37 52.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.7 p-90 -168.68 65.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 107.949 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' MET . 42.8 t80 -179.11 -67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.452 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 164.38 167.36 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.694 ' CB ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -165.61 177.94 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.8 t70 -117.14 64.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' ASP . 69.4 t80 -37.45 156.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.776 HG21 ' ND1' ' A' ' 48' ' ' HIS . 2.6 p -148.55 118.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.06 78.97 9.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 6.4 mt-10 -155.18 138.92 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG23 HD12 ' A' ' 66' ' ' ILE . 78.6 t -74.2 131.07 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.56 10.02 74.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.776 ' ND1' HG21 ' A' ' 43' ' ' VAL . 7.6 t-80 -87.28 115.53 24.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.96 136.8 42.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 43' ' ' VAL . 1.1 p90 -133.97 -172.56 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.06 142.12 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' CB ' ' A' ' 40' ' ' ASN . 15.3 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p -149.41 156.58 42.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -132.25 131.1 41.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 66' ' ' ILE . 99.0 t -66.51 134.31 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 75' ' ' SER . 36.5 mt -98.06 -52.64 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.48 150.15 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 63' ' ' VAL . 88.6 mt -134.96 127.69 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 m-20 -158.24 82.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -46.47 -52.45 29.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.21 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 169.03 -74.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 177.43 -177.95 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -141.26 170.58 15.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.54 150.67 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.4 p90 -153.46 141.32 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 64' ' ' LEU . 88.7 p -94.34 143.1 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CZ2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -100.63 114.65 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 107.991 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -75.54 -179.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m 38.25 45.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -170.03 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.8 43.43 1.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -128.42 162.52 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.29 133.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 72.4 t -129.97 130.05 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -139.96 135.24 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 99' ' ' LEU . 44.4 m-85 -103.25 112.76 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' C ' HD12 ' A' ' 87' ' ' LEU . 2.2 m-20 -85.13 150.93 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 23' ' ' VAL . 6.4 mp -136.74 138.17 40.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -134.0 130.12 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.47 118.14 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 96' ' ' GLU . 11.7 mt -108.99 -40.63 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 110.32 -167.7 12.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 47.87 34.88 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.7 m120 59.81 36.37 22.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' GLY . 8.2 mtmm -129.93 146.95 51.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -143.33 138.3 29.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.532 ' HB2' HD11 ' A' ' 90' ' ' LEU . 4.6 tt0 -85.21 109.26 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.4 t80 -96.73 128.02 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.804 HG22 HD11 ' A' ' 100' ' ' ILE . 50.1 m -133.18 106.81 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -90.67 122.13 33.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.804 HD11 HG22 ' A' ' 98' ' ' THR . 3.0 mp -118.31 130.05 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -132.98 107.48 8.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.33 -161.32 11.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.58 -42.68 1.4 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.646 ' HB2' HD13 ' A' ' 7' ' ' LEU . 3.6 m95 -65.51 179.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.35 -73.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 145.72 32.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.94 20.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -52.38 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.56 140.4 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 116' ' ' ALA . 5.3 mm -101.22 161.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -51.25 130.49 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.7 m -59.78 -50.76 72.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 78.0 p -45.61 -33.94 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.24 -37.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.503 HG21 ' CH2' ' A' ' 104' ' ' TRP . 35.4 mm -67.79 -50.37 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.99 -25.74 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.16 -59.09 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -55.21 -41.43 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -69.15 -48.34 62.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 130' ' ' VAL . 34.6 t -58.73 -47.95 82.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.23 -51.04 27.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.404 ' O ' ' CG1' ' A' ' 132' ' ' ILE . . . -67.36 -32.0 78.39 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.687 ' O ' HG23 ' A' ' 133' ' ' VAL . 11.7 m95 -65.91 -42.14 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.606 ' N ' HE22 ' A' ' 12' ' ' GLN . 76.4 t -59.71 -50.77 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -65.68 -51.95 55.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 128' ' ' GLY . 65.7 mt -55.65 -39.05 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 129' ' ' TRP . 13.4 t -66.77 -31.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 133' ' ' VAL . 3.1 m-80 -115.64 38.34 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.5 mm-40 -142.06 -62.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.4 mtmm -91.37 -69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 137' ' ' LEU . 1.6 tt -35.61 -56.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.511 ' HZ1' HD11 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -48.66 -55.84 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -60.29 -37.34 80.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.61 HG11 HG13 ' A' ' 26' ' ' VAL . 63.7 t -62.59 -55.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -63.68 -57.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -20.94 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 107' ' ' PRO . 28.1 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.69 177.11 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 128.98 35.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 122' ' ' ARG . 6.4 mt -59.91 95.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -94.92 131.65 40.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.636 HE22 ' N ' ' A' ' 130' ' ' VAL . 20.6 mt-30 -130.25 91.31 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.485 ' OG1' HG23 ' A' ' 98' ' ' THR . 83.1 m -90.95 122.49 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.1 tt -144.77 151.37 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.09 136.77 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 137' ' ' LEU . 44.3 m-85 -124.92 160.54 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -89.05 64.07 6.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.38 -178.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 149.55 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.77 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.5 tt -45.14 -42.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.601 ' OE1' HG23 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -59.29 -47.48 85.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HZ1' HG22 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -60.16 -56.01 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 27' ' ' VAL . 95.0 t -54.47 -37.6 38.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.0 t-105 -60.99 -45.89 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -58.43 -31.03 67.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.7 HG13 HG11 ' A' ' 140' ' ' VAL . 77.7 t -76.25 -5.85 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 23' ' ' VAL . 18.6 m -142.01 44.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -165.92 30.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 5.3 p -138.07 -176.23 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -104.16 -38.75 6.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -43.5 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.2 37.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 42' ' ' PHE . 36.1 mt -58.71 -47.37 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.26 -20.27 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -8.83 57.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.708 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.9 p-90 -171.27 65.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 33' ' ' ILE . 12.7 t80 -178.89 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 165.72 163.78 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.57 8.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.697 ' CB ' HG12 ' A' ' 52' ' ' VAL . 8.8 p30 -168.24 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' PHE . 3.1 m-20 -118.08 66.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CD1' HD12 ' A' ' 33' ' ' ILE . 64.9 t80 -37.64 156.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.771 HG21 ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -146.58 127.11 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 44' ' ' LEU . 10.2 tp -94.05 64.7 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 1.7 mt-10 -142.85 139.2 30.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG23 HD12 ' A' ' 66' ' ' ILE . 75.9 t -69.5 136.36 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 23.52 48.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.771 ' ND1' HG21 ' A' ' 43' ' ' VAL . 32.7 t-80 -101.9 62.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 145.48 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD1' HG12 ' A' ' 43' ' ' VAL . 2.0 p90 -132.76 -172.17 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 146.16 49.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 40' ' ' ASN . 14.5 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' VAL . 9.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.2 Cg_endo -75.01 133.59 16.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 11.1 m -104.28 167.12 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -142.75 113.72 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.451 HG11 ' CG1' ' A' ' 66' ' ' ILE . 85.9 t -56.01 124.84 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.79 -57.21 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -133.28 150.66 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.661 HD12 HG23 ' A' ' 46' ' ' VAL . 69.9 mt -126.6 124.61 65.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.5 m-20 -159.41 75.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.03 -52.18 20.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 54.07 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 178.86 -171.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -156.03 164.33 38.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.16 156.39 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 27.1 p90 -157.11 143.81 18.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 82' ' ' VAL . 2.4 p -89.56 137.4 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.77 131.38 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.956 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -78.87 177.0 9.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.402 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 70.3 p 47.98 23.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER 172.87 102.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.3 -19.07 3.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.821 ' NE1' HD22 ' A' ' 111' ' ' LEU . 1.2 m0 -54.13 119.32 4.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -93.91 158.53 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 48.8 t -132.52 128.25 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -136.59 137.86 40.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.12 112.7 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.427 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.98 155.76 19.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.427 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.2 mp -135.98 142.92 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -138.14 121.62 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.54 121.55 23.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 96' ' ' GLU . 22.3 mt -110.05 -43.55 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.01 -169.47 13.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 51.28 28.36 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.76 30.82 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 91' ' ' GLY . 4.9 mtmm -124.14 150.02 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.77 HG21 ' HA ' ' A' ' 20' ' ' ILE . 80.5 m -143.13 147.07 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.69 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -99.21 101.46 12.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -87.15 125.32 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.77 HG22 HD11 ' A' ' 100' ' ' ILE . 87.3 m -127.74 105.62 8.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -89.75 134.02 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.77 HD11 HG22 ' A' ' 98' ' ' THR . 1.9 mp -128.97 123.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -132.0 108.96 9.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.12 -156.49 10.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.43 -33.32 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CH2' ' NE1' ' A' ' 81' ' ' TRP . 1.4 m95 -84.71 173.77 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.33 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.4 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.477 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.96 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -40.25 8.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 110' ' ' ILE . 1.6 pt-20 -61.11 166.74 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.6 mm -138.06 130.41 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.821 HD22 ' NE1' ' A' ' 81' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.856 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.7 mttm -50.83 132.27 26.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 82.6 p -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.4 p -66.86 -44.17 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.52 -45.08 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.1 mm -67.61 -46.93 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.621 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.71 -42.76 62.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.17 -54.3 31.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -49.99 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -52.91 63.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.4 t -53.35 -49.87 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.64 -60.14 6.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.26 -29.65 60.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.2 m95 -72.03 -43.32 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.636 ' N ' HE22 ' A' ' 12' ' ' GLN . 8.1 t -60.2 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.29 -51.74 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.99 -36.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 129' ' ' TRP . 17.8 t -67.95 -34.36 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -113.83 40.8 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.0 mm-40 -141.54 -65.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 140' ' ' VAL . 32.9 mtmt -92.53 -64.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.708 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.4 tm? -39.42 -47.7 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -56.95 14.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -59.88 -32.59 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 136' ' ' LYS . 49.7 t -63.58 -54.94 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.511 HG22 ' HZ1' ' A' ' 22' ' ' LYS . 2.7 t -69.71 -57.09 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -32.15 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' A' ' 104' ' ' TRP . 38.0 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -104.28 -174.09 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.1 m-20 -95.5 116.22 28.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 122' ' ' ARG . 23.4 mt -43.68 97.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.6 ttmm -96.3 127.63 42.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.861 ' OE1' HG22 ' A' ' 130' ' ' VAL . 3.2 mt-30 -128.48 83.24 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -83.6 121.65 27.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -149.93 151.05 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -109.82 125.28 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -112.9 159.27 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.36 69.39 9.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 22' ' ' LYS . . . -155.02 179.86 8.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -105.68 153.9 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 tt -49.1 -36.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -69.9 -39.22 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.69 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -66.41 -57.43 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -55.6 -35.57 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.63 ' HA ' HG22 ' A' ' 27' ' ' VAL . 48.3 t-105 -67.13 -45.93 75.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -56.99 -34.7 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.32 -14.22 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 24' ' ' TRP . 7.6 m -127.76 41.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.4 p -167.25 36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 p -146.61 172.61 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 -44.71 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -42.2 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.79 78.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 37' ' ' PHE . 51.4 mt -70.34 -52.92 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' MET . . . -57.23 -19.28 20.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' PHE . 2.0 p-90 -152.55 -68.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.014 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CB ' HG23 ' A' ' 33' ' ' ILE . 1.2 t80 -34.23 -69.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.83 158.54 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.44 13.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' CB ' HG22 ' A' ' 52' ' ' VAL . 16.5 p-10 -172.98 -172.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.28 61.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 33' ' ' ILE . 89.0 t80 -49.52 136.8 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.422 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -128.76 133.36 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -94.47 75.86 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CG2' ' A' ' 43' ' ' VAL . 1.3 mp0 -148.48 134.26 18.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.19 137.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.66 25.45 51.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -102.07 97.98 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.609 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.33 149.97 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.6 p90 -145.23 -175.66 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.58 145.06 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 40' ' ' ASN . 69.1 t . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 63.5 m -147.93 157.98 43.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 122.51 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.17 148.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.83 -56.12 2.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.77 149.32 51.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.1 mt -124.8 127.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' HIS . 8.8 m-20 -162.33 77.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -46.26 -50.84 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.26 -72.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 176.15 -173.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -148.92 162.52 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.1 150.23 52.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 46.0 p90 -154.86 146.64 23.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -94.12 165.94 12.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -118.83 112.94 20.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -64.46 173.3 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m 38.33 40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.448 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -163.18 -66.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.21 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -100.75 160.11 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 11.1 t -132.69 126.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.0 t -123.17 127.78 74.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t -134.15 129.86 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 m-85 -103.69 113.04 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.37 157.32 26.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 23' ' ' VAL . 4.8 mp -143.94 130.3 19.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -129.05 127.3 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -75.84 105.59 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.66 -49.28 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.66 -171.75 13.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 47.98 35.58 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.54 36.45 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.7 mtmm -132.64 146.84 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.06 144.81 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.18 112.97 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CZ ' HD11 ' A' ' 137' ' ' LEU . 6.5 t80 -98.77 123.12 42.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.573 HG22 HD11 ' A' ' 100' ' ' ILE . 41.5 m -130.26 112.02 12.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 tt -88.72 115.4 26.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.573 HD11 HG22 ' A' ' 98' ' ' THR . 12.8 mm -109.77 110.43 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.511 ' CG ' HG22 ' A' ' 83' ' ' VAL . 6.9 t-160 -131.88 118.3 19.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.9 -153.13 7.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.83 -50.19 0.89 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.888 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 2.1 m95 -66.14 178.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -139.58 -80.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m170 -102.98 134.75 19.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.496 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.44 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 142.92 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.3 mm -96.31 160.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.888 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.46 124.28 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.607 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 3.2 p -60.37 -20.68 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.1 p -77.53 -42.14 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.9 mt -61.19 -46.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.55 -48.65 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.578 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -55.37 -41.47 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.38 -52.15 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -47.66 75.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.456 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.4 OUTLIER -69.28 -53.07 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.737 ' O ' HG23 ' A' ' 130' ' ' VAL . 40.7 t -54.55 -52.58 61.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.16 -54.06 41.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.39 -26.3 66.11 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.456 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 6.3 m95 -75.91 -40.57 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.861 HG22 ' OE1' ' A' ' 12' ' ' GLN . 68.7 t -57.29 -46.52 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.59 -51.26 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -54.86 -43.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.9 t -64.84 -29.59 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.8 37.84 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.4 mm-40 -141.67 -71.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.749 ' O ' HG23 ' A' ' 140' ' ' VAL . 10.4 mtmt -83.86 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 1.2 tt -38.56 -48.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -51.1 -51.87 49.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.88 -33.99 74.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 136' ' ' LYS . 42.1 t -62.19 -52.4 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.69 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 2.0 t -68.9 -57.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -34.9 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.599 HD11 ' OG ' ' A' ' 118' ' ' SER . 19.8 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -98.22 156.43 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 132.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.22 84.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -85.54 134.58 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.497 HE22 ' N ' ' A' ' 130' ' ' VAL . 45.5 mt-30 -131.27 90.85 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.7 m -88.76 119.0 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.441 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 10.1 tt -146.26 154.37 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.08 121.11 64.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HG11 ' A' ' 141' ' ' VAL . 40.9 m-85 -108.86 153.59 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -84.16 76.1 10.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -163.05 174.5 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.6 m -95.55 156.12 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.573 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.0 OUTLIER -54.61 -39.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.69 -33.75 75.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HB3' ' HZ3' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.86 -57.53 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.22 -35.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' HZ2' HD21 ' A' ' 44' ' ' LEU . 28.3 t-105 -59.05 -46.11 89.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 t -57.87 -30.96 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG13 HG11 ' A' ' 140' ' ' VAL . 79.2 t -76.07 -10.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.655 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.3 m -132.21 48.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.3 p -157.25 -44.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -71.01 159.66 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -86.32 -41.61 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -51.1 53.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.72 -52.39 52.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 50.8 mt -58.97 -45.98 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.26 27.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 13.14 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.655 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 7.6 p-90 -174.9 47.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -171.68 -72.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mtm 175.45 163.22 0.41 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.457 ' OD1' HG13 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -164.76 -175.19 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -120.45 62.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 33' ' ' ILE . 14.4 t80 -36.52 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.594 HG12 ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.01 132.64 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.502 HD21 ' HZ2' ' A' ' 24' ' ' TRP . 7.8 tp -98.17 78.63 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 5.5 mt-10 -151.95 137.72 17.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 66' ' ' ILE . 65.7 t -74.88 129.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.65 89.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -92.16 146.22 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.592 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.88 155.1 51.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -142.05 -176.11 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.98 148.95 39.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' OD1' ' A' ' 40' ' ' ASN . 15.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 95.1 m -147.63 158.56 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -137.25 118.47 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.915 HG11 HD11 ' A' ' 66' ' ' ILE . 99.5 t -58.16 127.83 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -90.94 -56.28 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.42 149.55 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 HG11 ' A' ' 63' ' ' VAL . 15.3 mt -132.14 121.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -154.91 77.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 1.4 tt0 -44.82 -50.69 24.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.54 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.2 -73.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 179.31 -171.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.457 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -154.88 159.92 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.56 156.27 45.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 9.0 p90 -155.08 143.32 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 82' ' ' VAL . 94.5 p -93.22 167.68 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.455 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -123.83 119.19 28.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.21 171.84 13.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.8 p 44.7 27.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.69 -56.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.02 -19.47 54.66 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -59.38 145.91 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.4 t -120.37 143.87 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 25.4 t -136.76 137.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 t -146.47 145.71 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HE1' HD13 ' A' ' 99' ' ' LEU . 20.7 m-85 -121.8 112.95 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 155.97 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.36 135.29 38.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -132.44 124.08 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.25 114.7 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.18 -42.86 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.25 -174.41 15.52 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 53.03 25.11 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 72.88 26.67 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' GLY . 7.3 mtmt -119.52 145.79 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 20' ' ' ILE . 2.5 m -141.73 141.15 33.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -83.98 120.23 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.0 t80 -106.27 127.24 53.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 100' ' ' ILE . 21.6 m -133.01 109.08 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.621 HD23 HG21 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -94.94 131.48 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.567 HD11 HG22 ' A' ' 98' ' ' THR . 4.2 mp -130.7 129.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 113.85 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.08 179.24 16.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.34 -19.18 1.18 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.713 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.2 m95 -92.94 -165.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -160.73 -60.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -113.07 140.08 23.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.1 Cg_endo -75.0 -25.86 11.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -56.22 7.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.94 147.74 27.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 117' ' ' LYS . 3.2 mt -118.82 161.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.713 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 2.6 mp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG2' HD11 ' A' ' 110' ' ' ILE . 23.5 mttm -50.86 123.05 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.599 ' OG ' HD11 ' A' ' 7' ' ' LEU . 80.4 p -46.8 -37.83 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -54.98 -35.1 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.43 -50.94 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.04 -47.76 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -55.49 -48.11 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.28 -55.26 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.39 -51.36 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -32.2 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.8 t -59.64 -53.2 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.7 27.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -50.91 -30.69 22.94 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.0 m95 -78.57 -41.92 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.497 ' N ' HE22 ' A' ' 12' ' ' GLN . 13.0 t -60.63 -41.72 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.45 -51.58 16.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.44 -37.73 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 129' ' ' TRP . 24.1 t -67.84 -30.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.27 38.55 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.7 mm-40 -141.47 -71.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.834 ' O ' HG23 ' A' ' 140' ' ' VAL . 23.7 mtmt -79.47 -70.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 97' ' ' PHE . 10.1 tt -39.32 -51.43 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -49.12 -56.06 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 143' ' ' GLY . 3.0 mtpt -64.01 -32.05 73.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 136' ' ' LYS . 52.1 t -64.51 -54.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -65.62 -57.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -35.17 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -47.81 153.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -86.68 128.03 34.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.551 HD11 ' CB ' ' A' ' 122' ' ' ARG . 57.4 mt -63.48 82.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' ASP . 29.1 ttmt -87.7 135.01 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -131.29 86.55 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -83.06 122.97 29.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tt -151.24 154.3 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.567 HG12 ' HE2' ' A' ' 94' ' ' LYS . 84.2 t -112.29 124.02 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HB3' HG11 ' A' ' 141' ' ' VAL . 12.7 m-85 -105.91 154.54 20.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.66 78.85 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -171.73 -175.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -104.61 154.07 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HA ' HG21 ' A' ' 95' ' ' THR . 4.5 tt -50.29 -42.94 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -56.62 -45.28 81.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -69.4 -53.71 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG12 HD21 ' A' ' 87' ' ' LEU . 87.2 t -55.19 -36.55 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 16.3 t-105 -67.01 -49.28 65.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -31.2 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.614 HG13 HG11 ' A' ' 140' ' ' VAL . 16.8 t -75.11 -5.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 24' ' ' TRP . 28.2 m -138.13 41.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -161.33 27.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 33' ' ' ILE . 11.9 p -138.13 173.83 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.97 -43.82 11.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -42.06 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.86 44.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 29' ' ' THR . 77.8 mt -62.58 -55.06 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.799 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.35 -21.89 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -7.82 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.573 ' CH2' HD22 ' A' ' 137' ' ' LEU . 16.0 p-90 -172.11 65.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' CZ2' ' A' ' 76' ' ' TRP . 72.5 t80 178.43 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 177.37 152.54 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 128.68 11.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.424 ' HB3' HG13 ' A' ' 52' ' ' VAL . 16.2 p-10 -173.32 178.82 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.05 78.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.3 154.08 14.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.611 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -147.01 134.73 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.8 tp -96.96 70.54 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 mm-40 -138.51 141.54 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.44 133.99 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 24.07 56.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 t60 -93.88 113.95 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.786 . . . . 0.0 109.609 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.09 144.69 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -141.09 -173.81 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 145.0 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 40' ' ' ASN . 47.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 9.7 p -160.48 159.93 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -136.23 125.21 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.58 138.87 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -99.34 -56.52 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.24 150.59 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mt -130.36 123.35 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.2 m-20 -154.98 77.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -44.91 -52.01 20.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.0 54.03 3.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.26 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.44 -171.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.57 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -151.42 165.96 32.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.18 154.98 49.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 38.0 p90 -154.81 147.35 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -97.05 136.92 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CZ2' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -98.56 115.93 29.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.91 171.83 14.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.4 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 58.14 40.99 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -178.68 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.13 40.37 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -118.17 161.46 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 3.9 t -131.59 137.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 39.1 t -135.71 131.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -141.74 138.19 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 27.3 m-85 -106.75 112.91 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.2 156.58 23.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -143.71 131.45 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 95' ' ' THR . 9.1 ttmm -128.91 122.12 29.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.25 120.45 15.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 96' ' ' GLU . 24.0 mt -110.76 -39.23 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 103.77 -168.09 16.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.68 34.66 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ALA . 9.9 m-80 60.72 37.5 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HE2' HG12 ' A' ' 15' ' ' VAL . 10.6 mttt -133.4 150.67 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 20' ' ' ILE . 92.0 m -149.91 147.77 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.9 tt0 -93.54 126.16 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 1.9 t80 -115.65 128.88 56.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.5 m -131.11 105.26 7.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tp -88.73 125.58 34.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.25 127.57 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -129.29 113.82 15.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.44 -166.41 10.74 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.148 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.69 -34.31 2.04 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -57.83 176.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -123.38 -49.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 149.81 25.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.63 15.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.48 -47.28 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.54 166.77 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.65 154.49 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -51.23 118.25 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 t -47.68 -53.97 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 1.1 p -43.42 -34.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.8 mt -79.2 -48.03 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.7 mm -58.93 -50.16 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.551 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -64.86 -25.16 67.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -42.96 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -50.35 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -43.75 82.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 130' ' ' VAL . 16.2 t -59.09 -53.13 61.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -45.17 52.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.65 62.44 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.2 m95 -66.76 -38.25 86.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 126' ' ' SER . 87.2 t -57.99 -55.03 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -64.5 -51.25 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.69 -36.11 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.7 t -73.89 -29.02 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -115.61 36.99 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.8 mm-40 -140.58 -79.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 139' ' ' LYS . 0.8 OUTLIER -72.31 -69.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.573 HD22 ' CH2' ' A' ' 36' ' ' TRP . 24.9 tp -36.6 -52.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 1.7 tppt? -50.64 -52.69 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -65.26 -37.07 86.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.614 HG11 HG13 ' A' ' 26' ' ' VAL . 53.3 t -57.87 -55.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.4 t -72.08 -57.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -49.62 -36.94 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 107' ' ' PRO . 26.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -121.93 176.0 6.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -89.64 129.57 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.8 mt -60.45 83.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ASP . 7.9 tttt -89.43 144.83 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.433 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 33.1 mt-30 -145.81 95.56 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -90.71 122.06 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.11 154.56 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.87 126.92 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 141' ' ' VAL . 20.6 m-85 -116.55 149.81 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -79.65 77.35 6.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.673 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -163.85 -172.92 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -110.38 164.01 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 89' ' ' ASP . 2.2 tt -62.35 -37.73 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -67.94 -30.32 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.673 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 9.5 ttpt -78.49 -58.1 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -50.98 -36.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 35.3 t-105 -57.52 -43.75 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' THR . 0.9 OUTLIER -57.08 -35.9 69.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.832 HG22 HG12 ' A' ' 140' ' ' VAL . 45.9 t -71.32 -16.91 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 87' ' ' LEU . 27.7 m -126.37 38.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.6 p -165.21 31.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 4.7 p -130.04 155.76 45.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.6 -45.81 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -41.8 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.84 -52.92 45.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.56 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 16.2 mt -58.81 -46.57 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.21 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 14.96 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.655 ' CH2' HD23 ' A' ' 137' ' ' LEU . 5.5 p-90 -177.4 45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.408 ' O ' ' SD ' ' A' ' 38' ' ' MET . 82.6 t80 -170.96 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER 167.7 165.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.06 5.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -161.64 -171.77 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -123.67 67.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -39.41 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 ' CG ' ' A' ' 48' ' ' HIS . 2.7 p -150.64 113.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 74.03 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -152.15 128.36 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 66' ' ' ILE . 71.8 t -62.21 132.49 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.25 1.71 90.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.675 ' CG ' HG21 ' A' ' 43' ' ' VAL . 5.2 t-80 -98.24 140.02 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.07 160.33 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.7 p90 -136.74 135.51 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -81.99 144.01 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 59' ' ' SER . 3.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 4.0 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.71 3.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 57.6 m -146.21 145.6 30.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.62 123.35 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.95 137.59 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 75' ' ' SER . 86.5 mt -102.28 -56.9 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -134.41 157.23 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.724 HD12 HG23 ' A' ' 46' ' ' VAL . 82.7 mt -133.99 131.68 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.0 m-20 -166.79 77.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.4 tt0 -46.74 -50.75 41.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.81 -72.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.37 -171.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.16 169.74 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.37 150.6 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 29.7 p90 -155.06 145.11 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 64' ' ' LEU . 92.5 p -97.35 151.56 19.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -100.45 114.06 27.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 107.974 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 49.9 m-20 -70.76 178.17 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.1 m 38.11 34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -163.7 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.08 38.61 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' TRP . 10.8 m0 -110.69 143.59 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 6.0 t -118.79 129.15 75.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 101' ' ' HIS . 52.6 t -129.01 127.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.6 p -135.87 129.12 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 99' ' ' LEU . 10.6 m-85 -108.06 114.14 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.47 157.62 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 27' ' ' VAL . 3.8 mp -141.81 118.94 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 95' ' ' THR . 3.9 ttpt -119.08 130.47 55.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.482 ' HB2' HG21 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -81.85 101.26 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 96' ' ' GLU . 39.8 mt -83.67 -44.35 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.42 -171.36 14.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 48.62 36.04 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 6.9 m-80 61.53 36.24 17.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.5 mtmt -133.06 144.36 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 88' ' ' LYS . 2.7 m -141.29 141.78 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' CB ' HD11 ' A' ' 90' ' ' LEU . 1.6 tt0 -86.4 111.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -97.6 119.11 35.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.714 HG22 HD11 ' A' ' 100' ' ' ILE . 86.6 m -125.14 105.37 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 98' ' ' THR . 2.7 mp -128.38 129.27 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -130.87 106.74 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.36 -166.73 21.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.24 -29.44 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.872 ' CE3' HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -95.16 168.71 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' LEU . 11.9 mttt -135.86 -70.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -98.05 148.42 34.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.704 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 -38.8 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.12 -39.0 89.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -58.15 146.46 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 111' ' ' LEU . 20.1 mm -120.25 167.3 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.872 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.4 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mttp -50.32 117.05 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.425 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 7.6 p -46.75 -29.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 p -68.21 -38.82 82.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.9 mt -61.25 -48.87 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.2 mm -63.17 -45.91 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.716 ' HG2' HD11 ' A' ' 10' ' ' ILE . 3.8 ttp180 -57.3 -49.09 77.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -65.04 -51.63 60.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -52.15 60.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.66 -46.45 89.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.561 ' O ' HG23 ' A' ' 130' ' ' VAL . 42.8 t -58.62 -48.59 80.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.57 -62.14 5.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.63 -27.49 68.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -70.2 -41.25 73.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' SER . 47.5 t -58.11 -53.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -61.9 -52.24 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.11 -40.9 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.08 -31.68 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -116.0 41.24 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.1 mm-40 -144.42 -53.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 140' ' ' VAL . 24.7 mtmt -105.07 -57.43 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.655 HD23 ' CH2' ' A' ' 36' ' ' TRP . 1.1 tm? -38.19 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.88 -54.53 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.6 OUTLIER -47.41 -46.32 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.832 HG12 HG22 ' A' ' 26' ' ' VAL . 55.7 t -59.34 -55.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -55.96 -57.23 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.65 -36.16 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -52.14 163.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.13 139.02 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 122' ' ' ARG . 73.7 mt -70.49 88.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -84.9 152.57 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.551 HE22 ' N ' ' A' ' 130' ' ' VAL . 61.1 mt-30 -153.15 78.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 m -79.38 119.43 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 tt -148.18 152.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 96' ' ' GLU . 41.4 t -110.88 131.57 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HB3' HG11 ' A' ' 141' ' ' VAL . 16.0 m-85 -112.9 153.32 28.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.59 64.73 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' CA ' ' A' ' 94' ' ' LYS . . . -155.22 -174.69 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -106.39 149.76 26.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.579 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.4 tt -47.26 -43.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.34 -32.55 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.4 ttpp -75.31 -52.85 9.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.32 -40.86 76.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 30.3 t-105 -60.09 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -32.1 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 140' ' ' VAL . 77.9 t -77.94 -5.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' VAL . 19.1 m -140.7 48.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -175.32 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 33' ' ' ILE . 8.4 p -148.27 -175.81 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -105.85 -39.55 6.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -42.34 20.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.55 -48.79 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 29' ' ' THR . 54.9 mt -65.96 -51.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -57.46 -18.52 18.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -12.76 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' PHE . 18.0 p-90 -148.2 -66.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' MET . 13.2 t80 -33.1 -68.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 160.17 172.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -160.06 -176.42 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.62 59.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -42.32 150.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.486 HG21 ' CG ' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -139.53 136.84 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 44' ' ' LEU . 13.3 tp -96.06 65.44 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 3.1 mm-40 -142.14 138.99 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.48 134.99 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.25 58.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CG ' HG21 ' A' ' 43' ' ' VAL . 28.5 t-80 -101.66 82.66 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 156.46 37.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.4 p90 -152.03 -171.46 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -110.51 150.46 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 ' CB ' ' A' ' 40' ' ' ASN . 61.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.29 10.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 3.4 m -137.84 170.43 16.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -147.48 114.79 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 66' ' ' ILE . 45.1 t -65.93 130.94 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -98.6 -57.19 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.85 149.32 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 63' ' ' VAL . 35.2 mt -137.96 114.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.09 80.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -45.07 -50.93 25.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.1 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 168.06 -74.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.71 -166.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.14 169.46 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.0 155.1 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -157.07 153.85 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 p -99.8 164.56 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -119.7 113.83 21.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.64 172.34 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m 44.17 42.34 4.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -163.15 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.98 36.82 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -119.05 176.37 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.1 131.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 77.1 t -117.28 125.51 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.6 t -128.45 125.09 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -98.86 169.66 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.837 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -145.44 151.75 38.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.837 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.4 mp -145.38 137.62 25.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.62 124.18 26.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.91 95.39 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 96' ' ' GLU . 29.5 mt -84.75 -45.88 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 113.33 -169.72 13.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 48.66 35.03 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 12.0 m120 61.82 35.29 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mttp -131.34 151.35 51.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.5 m -147.04 141.44 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.4 tt0 -84.23 113.15 20.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -103.98 125.58 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.549 HG22 ' CD1' ' A' ' 100' ' ' ILE . 3.3 m -131.78 108.6 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.572 HD23 HG21 ' A' ' 133' ' ' VAL . 0.9 OUTLIER -88.96 129.83 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.549 ' CD1' HG22 ' A' ' 98' ' ' THR . 1.6 mp -127.8 131.69 69.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.78 139.81 52.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -158.06 174.84 35.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.89 -26.66 0.64 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.87 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 6.7 m95 -70.9 -164.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 -79.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 20.2 m80 -114.41 140.18 24.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.4 Cg_endo -75.01 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 -41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.47 152.71 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -109.98 157.85 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.87 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.524 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.4 OUTLIER -53.19 133.24 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 95.4 p -59.23 -47.01 86.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.9 p -61.33 -38.6 87.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 117' ' ' LYS . 13.0 mt -61.45 -50.71 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 116' ' ' ALA . 9.4 mm -64.26 -42.99 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.81 -44.04 73.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.99 -50.09 31.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.58 -52.26 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.45 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 4.2 mmt -58.75 -29.95 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -72.57 -52.77 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.08 -36.54 28.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.65 -37.03 12.42 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 125' ' ' MET . 7.6 m95 -65.04 -50.42 66.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.551 ' N ' HE22 ' A' ' 12' ' ' GLN . 40.6 t -55.62 -43.96 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.77 -52.43 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -38.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 99' ' ' LEU . 3.9 t -66.09 -33.21 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -116.81 42.76 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.4 mm-40 -142.78 -58.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 140' ' ' VAL . 14.8 mttm -100.86 -65.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -37.33 -57.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -48.86 -55.75 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.09 -40.43 76.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 136' ' ' LYS . 39.5 t -58.03 -54.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.461 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -66.28 -57.16 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -55.73 -20.89 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.72 166.65 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -100.55 124.87 46.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 122' ' ' ARG . 6.6 mt -60.32 85.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG22 ' A' ' 98' ' ' THR . 12.0 ttmt -90.49 132.97 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.723 ' OE1' HG22 ' A' ' 130' ' ' VAL . 2.3 mt-30 -128.54 82.61 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 98' ' ' THR . 32.5 m -81.22 120.13 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 6.4 tt -151.04 155.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.37 135.77 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 58.2 m-85 -122.42 160.11 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.91 74.73 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.78 -175.26 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -114.04 150.4 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -46.23 -32.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -68.8 -48.64 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -54.09 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.02 -35.1 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 28.1 t-105 -66.47 -49.77 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.57 -31.95 62.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG11 HD22 ' A' ' 137' ' ' LEU . 20.7 t -74.74 -8.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.4 m -137.68 43.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -165.65 39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 5.6 p -145.49 -176.04 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.12 -41.46 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -44.04 19.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.02 -51.49 45.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.86 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.81 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -77.08 -2.52 34.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 14.3 p-90 -174.72 65.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' MET . 3.5 t80 179.01 -64.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 161.39 166.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.526 ' CB ' HG22 ' A' ' 52' ' ' VAL . 14.7 p-10 -162.43 176.88 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -114.88 66.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 29' ' ' THR . 54.5 t80 -37.64 151.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.2 p -147.36 119.07 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 tp -85.28 76.08 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -148.69 133.68 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 66' ' ' ILE . 55.2 t -67.79 135.41 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.44 16.42 65.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -110.06 116.38 31.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.634 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.54 157.16 17.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -131.0 171.09 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 144.49 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 40' ' ' ASN . 59.6 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -75.02 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -128.43 147.61 50.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -129.78 107.05 9.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 66' ' ' ILE . 80.2 t -55.83 125.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' SER . 20.1 mt -90.56 -55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.25 152.33 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 63' ' ' VAL . 60.3 mt -131.43 132.5 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.69 75.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -44.81 -50.99 23.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.28 3.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.562 1.822 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.8 -73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 179.43 -173.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.483 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -156.3 152.18 27.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -125.85 160.05 30.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.412 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 43.1 p90 -155.75 145.35 21.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.413 ' HB3' HD11 ' A' ' 64' ' ' LEU . 62.9 p -89.96 155.51 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.88 138.68 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.448 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -79.55 -178.98 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 33.0 p 37.07 45.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' THR . 1.5 m-20 156.35 110.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.93 53.22 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CZ2' ' CH2' ' A' ' 104' ' ' TRP . 10.1 m0 -117.29 134.47 54.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -106.05 146.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 101' ' ' HIS . 98.1 t -135.74 121.55 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 p -134.63 146.89 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CE1' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -119.88 112.83 19.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.99 149.62 26.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.49 141.35 51.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 tttt -129.72 132.04 46.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -83.65 102.72 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -93.68 -45.1 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 106.71 -169.53 15.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 47.96 35.76 5.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.4 m120 61.72 35.63 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.1 mtmm -132.03 148.48 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 m -149.3 142.18 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.02 121.64 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -105.7 132.4 51.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 11' ' ' LYS . 3.8 m -132.31 107.27 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 tt -90.52 119.44 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -122.01 117.18 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.559 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.3 t-80 -125.8 108.3 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -131.82 -156.25 8.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.48 -33.9 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.562 ' CH2' ' CZ2' ' A' ' 81' ' ' TRP . 10.0 m95 -55.91 176.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 -67.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 7.0 m170 -127.89 140.86 39.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -26.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -102.04 154.06 19.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.1 mm -101.01 155.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.549 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.854 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 117.08 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.545 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.0 p -50.88 -44.27 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 12.6 p -48.23 -30.22 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.7 mt -80.8 -48.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.854 HD11 ' HB3' ' A' ' 116' ' ' ALA . 2.6 mp -54.56 -50.53 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.17 -29.19 70.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.41 -46.89 46.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.85 -50.28 71.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -63.73 -44.98 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 130' ' ' VAL . 26.1 t -51.39 -52.95 41.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.16 -40.61 67.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.78 49.35 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.665 ' O ' HG23 ' A' ' 133' ' ' VAL . 2.5 m95 -68.53 -41.2 80.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 12' ' ' GLN . 82.3 t -60.03 -47.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.51 -51.66 40.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.74 -35.28 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -71.73 -29.11 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.433 ' ND2' HG12 ' A' ' 133' ' ' VAL . 2.6 m-80 -117.23 37.97 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.6 mm-40 -140.69 -53.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 140' ' ' VAL . 30.4 mtmt -101.39 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.603 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.3 tm? -36.83 -55.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -52.17 -54.39 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.97 -34.98 70.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 136' ' ' LYS . 38.3 t -64.49 -54.48 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -66.28 -57.18 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -56.32 -36.71 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 107' ' ' PRO . 25.0 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CZ ' ' A' ' 122' ' ' ARG . 7.1 m120 -121.72 173.57 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.16 134.99 37.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 122' ' ' ARG . 20.6 mt -66.01 84.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -83.21 139.29 33.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -137.23 86.74 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 m -88.28 121.16 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.51 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 8.8 tt -149.17 153.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 96' ' ' GLU . 67.5 t -110.14 121.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 35.0 m-85 -110.81 150.59 28.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -79.46 75.95 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -162.93 178.61 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LYS . 7.3 m -105.28 152.16 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.1 tt -42.81 -62.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 20' ' ' ILE . 1.3 pm0 -52.37 -29.13 22.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.584 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -71.15 -55.79 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HB ' HD23 ' A' ' 87' ' ' LEU . 89.2 t -62.89 -35.13 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.0 t-105 -59.46 -48.86 80.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -54.31 -30.86 52.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG13 HG11 ' A' ' 140' ' ' VAL . 40.1 t -75.46 -7.22 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 28.1 m -138.49 47.67 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -173.07 34.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -141.0 179.56 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 -44.77 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -41.85 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.07 -53.52 36.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 80.6 mt -64.48 -46.18 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.98 -19.9 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.76 9.72 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.639 ' CZ2' HD23 ' A' ' 137' ' ' LEU . 5.1 p-90 -176.22 54.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 25.3 t80 -178.79 -70.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 170.39 160.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.28 5.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -161.58 -178.46 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.99 78.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -53.81 161.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.636 HG21 ' ND1' ' A' ' 48' ' ' HIS . 2.2 p -150.12 121.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.56 65.61 9.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.2 mm-40 -141.11 134.38 29.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.54 141.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.17 24.94 10.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.636 ' ND1' HG21 ' A' ' 43' ' ' VAL . 12.2 t-80 -103.61 72.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 149.81 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -138.69 -177.54 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -105.01 149.39 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.608 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 38' ' ' MET . 95.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 141.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 21.3 m -102.75 161.99 13.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 108.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -141.22 116.0 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.4 135.06 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.57 -56.48 2.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -132.31 146.58 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.9 127.36 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.78 74.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tt0 -44.83 -50.13 26.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.03 54.42 3.65 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.37 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 177.64 -171.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.635 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.91 166.36 33.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 155.88 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 31.9 p90 -156.45 150.98 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 p -95.79 160.04 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -121.64 127.37 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -70.68 178.15 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 82.4 p 37.01 50.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 78' ' ' THR . 3.2 m-20 156.36 110.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.9 53.23 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.535 ' HE1' HD22 ' A' ' 111' ' ' LEU . 16.1 m0 -118.04 157.54 26.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.85 136.97 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.5 t -124.78 128.87 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -137.39 145.92 43.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -119.2 112.99 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.34 151.55 22.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 23' ' ' VAL . 5.7 mp -132.86 146.02 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 ttpt -141.0 115.76 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -72.57 122.34 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -109.8 -44.02 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 118.61 -170.46 13.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 49.97 30.93 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 m120 64.76 33.55 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLY . 11.4 mttp -128.44 150.51 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.619 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.7 m -149.11 142.78 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.4 tt0 -86.97 120.77 28.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -105.59 125.5 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.691 HG22 HD11 ' A' ' 100' ' ' ILE . 90.0 m -128.22 106.52 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.1 134.06 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.691 HD11 HG22 ' A' ' 98' ' ' THR . 4.4 mp -130.7 127.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.491 ' CE1' ' SD ' ' A' ' 125' ' ' MET . 5.2 t-80 -131.73 111.74 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.71 -163.92 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 -26.99 2.75 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.684 ' CE3' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -87.54 -176.9 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -139.05 -70.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -104.58 150.67 38.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.02 -16.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -49.98 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.56 145.18 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.1 mm -118.61 158.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.684 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -51.74 117.15 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -50.49 -26.73 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 p -77.78 -48.19 17.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -55.22 -45.25 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.476 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.5 mm -67.33 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.03 -50.91 60.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.66 -49.0 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.88 -52.83 59.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -71.13 -35.08 71.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.598 ' O ' HG23 ' A' ' 130' ' ' VAL . 12.4 t -62.12 -53.39 56.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.13 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.8 8.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.697 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.2 m95 -74.07 -39.37 63.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 126' ' ' SER . 27.4 t -60.42 -55.15 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -60.62 -52.26 65.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.0 mt -55.38 -36.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 129' ' ' TRP . 4.8 t -67.72 -33.39 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -116.37 41.16 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.9 mm-40 -141.64 -52.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.1 mtmm -108.68 -62.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.639 HD23 ' CZ2' ' A' ' 36' ' ' TRP . 3.3 tm? -36.49 -59.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 45.4 tttm -54.56 -56.65 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -50.71 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.558 HG11 HG13 ' A' ' 26' ' ' VAL . 86.3 t -52.88 -55.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 18' ' ' ALA . 2.0 t -58.84 -57.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -49.43 -46.08 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -179.97 163.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.13 163.62 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 150.43 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.35 162.06 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 56.23 175.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 104' ' ' TRP . 23.1 mt -93.24 121.83 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.86 145.98 46.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 m-20 -79.92 113.63 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.8 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' ASP . 10.9 ttmt -104.41 132.61 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.27 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -84.71 119.57 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 HD13 ' CE1' ' A' ' 16' ' ' PHE . 14.5 tt -147.56 153.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 96' ' ' GLU . 93.0 t -114.06 118.76 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CE1' HD13 ' A' ' 14' ' ' ILE . 28.8 m-85 -105.45 164.33 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -91.24 71.66 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.5 -179.35 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -105.11 159.14 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.6 tt -55.35 -30.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -70.14 -44.74 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -70.13 -51.99 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG12 HD21 ' A' ' 87' ' ' LEU . 49.5 t -54.48 -35.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.7 t-105 -68.84 -43.64 75.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 t -53.85 -30.65 46.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG13 HG11 ' A' ' 140' ' ' VAL . 69.7 t -76.13 -19.96 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 24' ' ' TRP . 27.5 m -124.4 51.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 p -169.88 31.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -140.91 -178.13 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.1 -41.49 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -41.8 26.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.66 -48.95 82.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.22 -47.6 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.27 -20.43 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.49 2.33 22.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.576 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 29.2 p-90 -173.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 108.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.1 t80 179.56 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.59 158.74 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.8 5.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.677 ' CB ' HG12 ' A' ' 52' ' ' VAL . 2.9 p30 -162.68 172.66 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.63 72.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -43.01 148.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.73 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -138.92 114.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 tp -80.97 74.43 7.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' C ' HD11 ' A' ' 66' ' ' ILE . 3.8 mt-10 -143.99 144.58 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.44 130.57 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.6 70.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.73 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.5 t60 -91.64 126.9 36.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.9 148.5 36.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.3 p90 -140.32 -172.41 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 57.4 m80 -135.57 138.01 42.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.677 HG12 ' CB ' ' A' ' 40' ' ' ASN . 3.4 m -106.05 168.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -113.18 101.29 9.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.48 148.14 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.21 32.85 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.93 154.2 26.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.08 25.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.454 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -134.86 96.54 14.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HB3' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.05 166.73 28.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 81.0 m -139.08 169.25 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -145.11 114.71 7.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.04 140.72 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.2 mt -105.47 -55.32 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.05 150.26 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' C ' ' A' ' 45' ' ' GLU . 69.6 mt -129.57 123.81 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -157.1 77.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.08 -51.39 23.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.77 -73.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.46 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -148.75 167.16 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.7 148.85 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 42.0 p90 -156.87 145.09 19.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -91.13 166.14 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -119.92 113.55 20.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.021 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.08 178.6 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m 40.32 38.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 111' ' ' LEU . 30.8 m-20 -167.88 -61.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.51 55.68 1.32 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 18.1 m0 -136.23 169.55 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.58 134.5 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 101' ' ' HIS . 79.8 t -129.99 116.34 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.0 130.02 52.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 13.7 m-85 -107.77 112.44 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.513 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -87.56 154.93 20.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 HG12 ' A' ' 23' ' ' VAL . 5.7 mp -139.32 139.34 37.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -132.0 126.39 33.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.14 108.03 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.31 -45.33 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.38 -170.08 14.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.04 27.83 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 0.81 . . . . 0.0 109.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 69.2 31.73 3.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mttp -128.23 151.58 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.2 m -150.17 145.13 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.5 tt0 -90.18 124.37 34.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.26 128.86 54.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.413 ' CG2' ' HE2' ' A' ' 11' ' ' LYS . 71.1 m -132.05 105.96 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -88.77 117.35 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -114.19 114.69 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.7 t-160 -132.65 113.36 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.88 -138.87 6.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.42 -52.69 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 118' ' ' SER . 0.0 OUTLIER -100.15 170.59 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -70.62 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m170 -90.72 140.86 26.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -75.02 93.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.23 -45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.665 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -50.7 161.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 109' ' ' GLU . 4.6 mm -138.84 142.64 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 79' ' ' ASP . 1.1 mp -102.01 159.59 28.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.1 176.23 10.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.1 -71.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' PRO . . . -63.6 -54.47 35.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 t30 53.77 83.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . -173.95 156.78 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.8 mttt -50.74 125.44 13.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 5.0 p -56.41 -33.7 66.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -68.19 -26.69 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.52 -49.98 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.913 HD11 ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -63.68 -37.11 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -55.21 -46.83 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -73.03 -46.85 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.59 -52.37 63.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 1.5 tpt -67.89 -45.02 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 130' ' ' VAL . 15.7 t -55.14 -52.77 62.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.03 -62.72 5.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 132' ' ' ILE . . . -54.83 -33.09 55.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.766 ' O ' HG23 ' A' ' 133' ' ' VAL . 9.9 m95 -71.74 -42.11 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 126' ' ' SER . 43.7 t -56.82 -51.31 69.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.09 -52.41 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 128' ' ' GLY . 10.9 mt -54.54 -40.64 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 129' ' ' TRP . 46.2 t -66.5 -28.91 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -120.24 40.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.54 -76.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 140' ' ' VAL . 1.7 mttp -83.27 -59.24 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 140' ' ' VAL . 31.4 tp -39.76 -60.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -48.59 -42.59 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -69.86 -29.25 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.754 HG11 HG13 ' A' ' 26' ' ' VAL . 99.5 t -71.35 -54.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.6 t -63.54 -54.03 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -51.05 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.469 0.176 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.74 56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 57.92 165.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -121.83 151.19 40.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.417 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.1 m120 -139.85 164.32 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 105' ' ' LYS . 20.8 p 46.67 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 2.6 mt -79.06 118.52 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -42.13 154.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.3 m-20 -90.16 126.26 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.705 HG22 ' OE1' ' A' ' 12' ' ' GLN . 79.8 mt -60.24 85.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -92.43 132.69 36.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.705 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.7 mp0 -133.22 79.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 98' ' ' THR . 95.9 m -78.54 123.38 27.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.47 HG23 ' CE2' ' A' ' 16' ' ' PHE . 17.2 tt -147.53 152.81 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' A' ' 96' ' ' GLU . 72.7 t -113.0 126.4 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE2' HG23 ' A' ' 14' ' ' ILE . 63.3 m-85 -113.35 164.67 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.0 63.08 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.55 -178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -106.33 153.29 22.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.009 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.25 -33.28 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -71.93 -35.74 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -74.79 -55.77 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG12 HD21 ' A' ' 87' ' ' LEU . 77.7 t -53.65 -38.36 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 17.9 t-105 -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -32.23 60.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 137' ' ' LEU . 76.5 t -72.66 -12.5 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 47.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -172.46 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -145.86 174.8 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.04 -45.63 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -39.49 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.34 -53.26 44.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.42 -46.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.01 -20.13 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 t -75.18 -3.57 33.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.67 ' CH2' HD22 ' A' ' 137' ' ' LEU . 11.3 p-90 -171.84 65.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' MET . 2.4 t80 178.04 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 163.16 158.99 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.6 8.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 52' ' ' VAL . 2.9 p30 -163.18 -170.11 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.95 59.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 86.4 t80 -37.5 141.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.44 125.72 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.64 69.27 9.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -143.44 129.52 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.71 140.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.03 30.41 7.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 1.7 t-80 -106.93 67.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 153.23 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -144.13 -173.55 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.44 144.16 41.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.516 HG22 ' CB ' ' A' ' 40' ' ' ASN . 55.3 t -130.58 163.76 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 52' ' ' VAL . 5.1 tp-100 -118.38 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.58 162.28 45.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.61 7.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -85.62 -58.98 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.17 178.32 38.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.58 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.548 1.814 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.1 p -136.77 96.68 11.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.95 42.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 63.0 m -125.73 160.12 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -139.33 116.65 11.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.41 143.91 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.82 -56.59 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.2 mt -124.43 128.41 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.58 75.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.95 -50.63 25.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 167.58 -74.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.84 -164.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.39 167.01 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.47 151.22 50.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 14.3 p90 -156.85 142.56 17.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.429 ' HA ' HG22 ' A' ' 82' ' ' VAL . 35.3 p -88.68 164.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -125.1 122.3 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -76.85 -177.46 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.438 ' HA ' ' CD ' ' A' ' 113' ' ' LYS . 25.7 p 38.78 32.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -158.31 -69.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.02 -22.61 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CZ2' ' HB1' ' A' ' 114' ' ' ALA . 4.9 m0 -66.69 166.87 12.17 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -129.62 134.82 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.2 t -119.05 119.03 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 m -134.28 143.01 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -110.2 171.71 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.46 153.66 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.459 HD21 HG12 ' A' ' 23' ' ' VAL . 4.7 mp -139.17 137.8 36.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -131.05 120.41 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.87 109.66 8.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.83 -39.2 7.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.34 -168.24 12.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 49.2 33.76 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 60.29 33.36 20.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.4 mtmm -124.71 159.66 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -156.3 147.32 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.8 tt0 -91.58 115.03 27.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -100.88 125.89 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 100' ' ' ILE . 69.3 m -132.57 109.13 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.91 127.76 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 98' ' ' THR . 4.1 mp -123.4 118.75 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -128.15 121.34 29.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.585 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.31 -162.59 9.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.8 -37.68 1.33 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 5.3 m95 -53.46 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 6' ' ' THR . 8.5 mtmt -133.69 -49.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 1.7 m-70 -143.43 137.4 14.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.03 93.67 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.95 -35.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.53 140.04 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.3 mm -96.93 130.24 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.4 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -72.22 143.69 86.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -84.01 55.12 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 113' ' ' LYS . . . 175.67 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 0.7 OUTLIER 70.89 -174.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 69.38 148.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.59 ' HB2' HD12 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -53.41 120.76 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.542 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 62.8 m -51.11 -57.77 7.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.7 p -45.74 -40.91 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.8 mt -66.37 -46.24 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.4 -47.83 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 10' ' ' ILE . 4.4 ttp180 -51.37 -46.57 62.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -64.66 -52.18 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -54.48 -52.0 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.62 66.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.2 t -52.43 -50.06 63.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -58.82 9.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.94 -36.22 93.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.457 ' HA ' ' CE3' ' A' ' 129' ' ' TRP . 2.3 m95 -63.84 -39.75 94.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -66.27 -36.49 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -75.09 -51.26 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 136' ' ' LYS . 87.7 mt -55.22 -43.13 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.01 -31.05 51.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.448 ' OD1' ' CD1' ' A' ' 14' ' ' ILE . 9.2 m-80 -113.43 36.52 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.4 mm-40 -141.89 -74.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 140' ' ' VAL . 2.4 mttp -80.6 -65.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.67 HD22 ' CH2' ' A' ' 36' ' ' TRP . 8.9 tp -38.78 -54.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -49.4 -48.47 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.6 -29.09 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 136' ' ' LYS . 62.4 t -69.04 -55.16 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.503 ' CG2' HG21 ' A' ' 26' ' ' VAL . 1.4 t -66.36 -56.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.67 -31.83 66.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.503 0.192 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.66 169.61 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.96 145.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.49 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -150.03 161.18 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.14 173.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.685 HD11 ' OG ' ' A' ' 118' ' ' SER . 60.5 mt -96.07 159.41 14.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.75 172.06 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -92.97 122.32 35.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 12' ' ' GLN . 35.9 mt -57.69 89.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -93.72 133.38 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.9 mp0 -130.6 88.24 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.6 m -88.2 119.48 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.646 HD12 ' OD1' ' A' ' 134' ' ' ASN . 1.9 tt -145.06 151.25 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' ILE . 52.2 t -105.61 141.18 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.11 156.63 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -89.77 67.06 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.76 178.22 8.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -97.42 156.9 16.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.512 HG23 ' NE2' ' A' ' 21' ' ' GLN . 3.7 tt -54.28 -38.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' NE2' HG23 ' A' ' 20' ' ' ILE . 25.0 mp0 -63.64 -32.18 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -47.85 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -63.31 -35.92 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 26.9 t-105 -61.33 -46.44 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 108.035 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -54.62 -31.56 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 140' ' ' VAL . 91.7 t -74.13 -9.18 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 34.7 m -135.41 47.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 91.5 p -169.04 35.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -147.9 175.74 10.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 110.452 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -97.09 -42.67 7.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -42.95 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.8 -47.81 83.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -71.33 -43.44 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -57.81 -20.67 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -75.74 -4.8 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 137' ' ' LEU . 23.6 p-90 -168.83 64.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' MET . 45.5 t80 -179.49 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 165.14 166.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -169.62 175.4 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -115.59 75.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 86.3 t80 -43.28 154.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.623 HG12 ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.04 133.25 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.9 tp -103.98 69.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 25.7 mt-10 -146.52 130.41 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.16 136.64 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.65 18.36 51.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' ND1' HG21 ' A' ' 43' ' ' VAL . 22.5 t-80 -103.71 97.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.06 151.0 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.623 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -129.44 -171.87 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.94 136.13 49.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 59' ' ' SER . 3.1 m -120.92 166.69 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -103.58 117.51 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.53 156.37 47.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.97 20.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -138.39 70.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.43 158.04 16.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.706 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.5 t -124.71 96.75 40.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.56 38.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 6.7 m -137.77 130.46 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -106.36 117.28 33.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 66' ' ' ILE . 48.5 t -59.49 129.17 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.6 mt -91.79 -55.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -136.65 150.3 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.72 HD11 HG11 ' A' ' 63' ' ' VAL . 67.8 mt -133.09 114.92 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.1 m-20 -146.59 79.05 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.2 -51.08 26.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.243 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.5 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 167.62 -72.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.78 -178.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.36 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 150.88 52.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 48.5 p90 -155.8 148.1 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -96.32 159.9 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -116.45 115.04 25.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.96 -178.46 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.3 p 42.95 28.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CZ3' ' A' ' 81' ' ' TRP . 2.4 m-20 -165.46 -54.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 20.21 39.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.507 ' CZ3' ' OD2' ' A' ' 79' ' ' ASP . 17.4 m0 -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.7 134.84 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 101' ' ' HIS . 84.4 t -136.21 135.94 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -144.95 132.55 20.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.88 112.64 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.7 157.28 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 23' ' ' VAL . 4.1 mp -141.77 133.53 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -131.4 125.31 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -84.4 110.76 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.42 -46.29 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 122.38 -169.02 14.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 53.96 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.65 27.44 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -118.42 159.21 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -149.61 141.57 23.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.56 107.29 19.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 137' ' ' LEU . 65.9 t80 -92.75 124.67 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.816 HG22 HD11 ' A' ' 100' ' ' ILE . 52.5 m -130.36 106.75 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 131.09 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 98' ' ' THR . 3.3 mp -126.44 126.1 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.511 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -133.01 107.22 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.64 -166.1 13.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.03 -32.26 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.655 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 2.2 m95 -82.87 154.67 24.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -73.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -100.01 145.95 31.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HA ' ' OG ' ' A' ' 118' ' ' SER . 18.1 Cg_endo -75.01 -29.03 8.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -54.44 10.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 3.8 pt-20 -50.14 155.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 15.3 mm -128.69 142.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.453 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.3 mp -65.79 150.57 96.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -61.89 -75.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.07 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 23.5 t30 79.09 75.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -173.74 152.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.2 mttt -51.03 117.65 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.685 ' OG ' HD11 ' A' ' 7' ' ' LEU . 65.2 p -55.72 -43.18 76.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -45.09 83.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 117' ' ' LYS . 67.6 mt -63.64 -46.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.655 HG21 ' CZ2' ' A' ' 104' ' ' TRP . 18.1 mm -61.88 -47.0 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.2 ttp180 -50.76 -45.74 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -47.93 46.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -52.23 63.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -29.87 67.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 16.5 t -71.64 -52.82 16.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.93 -48.56 51.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.07 88.64 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.75 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.3 m95 -59.93 -44.51 94.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.491 HG23 HE21 ' A' ' 12' ' ' GLN . 2.9 t -56.14 -54.74 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -62.31 -52.58 63.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 62.0 mt -54.07 -35.32 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 129' ' ' TRP . 20.8 t -69.82 -33.98 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.646 ' OD1' HD12 ' A' ' 14' ' ' ILE . 10.5 m-80 -115.71 43.72 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.2 mm-40 -143.67 -63.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mttm -95.89 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.56 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 5.9 tp -38.45 -48.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -59.02 -53.98 52.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 26' ' ' VAL . 69.3 t -69.0 -55.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.533 HG23 HG21 ' A' ' 26' ' ' VAL . 1.5 t -64.11 -55.18 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.86 -39.37 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.48 0.181 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.39 -167.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -148.05 124.07 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -69.72 124.16 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.45 136.7 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 61.15 174.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.1 mt -93.99 -179.07 4.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -118.41 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.7 m-20 -116.18 105.99 13.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -42.75 98.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -101.24 137.3 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.51 85.33 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 m -87.35 119.74 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.692 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -150.56 151.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.72 126.33 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 41.9 m-85 -114.52 156.56 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.73 76.52 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -165.35 176.43 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -100.34 158.77 15.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.2 tt -57.36 -33.65 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.83 -37.67 79.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -70.61 -55.17 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.635 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -54.74 -35.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 41.9 t-105 -62.74 -45.17 93.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -58.51 -31.48 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 HG11 ' A' ' 140' ' ' VAL . 73.9 t -76.64 -15.51 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.7 m -128.96 47.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 29' ' ' THR . 92.5 p -167.27 31.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 28' ' ' SER . 2.6 p -153.26 160.17 42.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -78.96 -48.18 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.91 49.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.86 -49.71 57.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 29' ' ' THR . 55.0 mt -63.63 -43.6 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.48 46.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -78.79 0.1 28.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.564 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 27.4 p-90 -176.07 63.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' MET . 66.1 t80 -179.16 -64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 162.28 167.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -159.15 -176.27 5.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -110.84 -19.46 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 53.3 t80 51.96 173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 50' ' ' PHE . 3.9 p -167.93 128.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -95.26 74.67 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' OE1' ' CD2' ' A' ' 48' ' ' HIS . 35.2 mt-10 -149.47 150.45 32.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 66' ' ' ILE . 42.6 t -77.11 134.01 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.65 24.38 52.85 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.698 ' ND1' HG21 ' A' ' 43' ' ' VAL . 37.4 t-80 -99.86 107.78 19.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.584 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -89.67 141.61 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -125.86 -174.54 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.7 139.42 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 40' ' ' ASN . 18.7 t -133.09 152.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -110.75 130.94 55.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.9 154.48 81.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.2 3.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.11 -64.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.5 174.94 34.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.01 4.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.64 96.74 29.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.13 7.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 1.7 m -143.59 153.75 42.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 122.62 18.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.42 HG11 ' CG1' ' A' ' 66' ' ' ILE . 96.0 t -65.75 147.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -108.95 -55.11 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -131.65 144.08 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.453 HD12 HG23 ' A' ' 46' ' ' VAL . 73.0 mt -125.26 127.75 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.4 m-20 -160.63 76.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.9 tt0 -44.74 -51.17 22.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 53.91 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 -71.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 177.11 -172.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.51 158.66 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 154.0 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 22.7 p90 -154.8 158.48 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -107.21 168.26 9.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -120.78 119.3 32.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.001 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.4 174.17 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m 39.71 36.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -160.36 -76.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.59 38.27 1.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -118.01 143.2 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.34 131.13 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 65.6 t -126.56 129.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 132.58 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 83' ' ' VAL . 9.9 m-85 -111.9 112.67 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -83.15 156.95 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 23' ' ' VAL . 5.6 mp -139.93 138.34 35.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.634 ' HD2' HD21 ' A' ' 90' ' ' LEU . 1.6 ttmm -134.2 131.65 38.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.12 116.61 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.634 HD21 ' HD2' ' A' ' 88' ' ' LYS . 31.9 mt -104.23 -45.44 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.13 -170.33 13.22 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.62 27.89 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 68.27 30.11 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 91' ' ' GLY . 25.7 mttm -122.97 152.16 41.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.69 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.5 m -149.37 140.13 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -83.5 120.14 25.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -105.54 120.9 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -125.47 109.79 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 tt -89.48 115.84 27.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.75 114.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 113.54 18.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.74 -155.59 7.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.99 -24.78 5.64 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 6.0 m95 -75.81 -171.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -144.43 -92.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.67 144.41 30.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.641 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.22 21.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -83.18 -60.81 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 110' ' ' ILE . 10.6 pt-20 -49.98 164.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 109' ' ' GLU . 7.6 mm -131.54 141.55 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -70.09 156.38 91.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -73.23 -71.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.86 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 4.8 t30 79.26 178.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.75 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 19.6 mttt -52.09 124.23 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 2.5 t -54.53 -46.72 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.459 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 30.6 p -43.34 -35.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.21 -40.49 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.483 HG21 ' CH2' ' A' ' 104' ' ' TRP . 42.8 mm -64.99 -50.12 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.459 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -64.28 -25.41 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -49.52 25.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -45.91 75.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -44.83 95.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 130' ' ' VAL . 45.5 t -63.35 -51.26 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -48.93 -40.96 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.69 -42.28 11.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 133' ' ' VAL . 3.9 m95 -57.23 -40.3 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 126' ' ' SER . 68.5 t -59.76 -46.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -69.72 -52.11 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.71 -38.52 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.6 t -68.34 -29.77 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -116.7 37.22 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.6 mm-40 -141.05 -69.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.996 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.6 mtmm -87.12 -57.12 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 137' ' ' LEU . 1.2 tm? -38.93 -58.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -56.83 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -52.24 -35.98 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 136' ' ' LYS . 21.7 t -66.19 -55.38 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.52 HG13 ' HZ1' ' A' ' 22' ' ' LYS . 2.1 t -62.67 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.1 -28.25 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.46 0.171 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.59 124.65 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.92 165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -62.74 96.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -145.8 158.01 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 107' ' ' PRO . 9.1 mt -43.43 116.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -54.47 160.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.57 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.0 mt -83.62 94.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.8 148.15 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -148.99 83.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 98' ' ' THR . 47.2 m -82.4 121.21 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.5 tt -143.14 153.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.73 122.72 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 138' ' ' LYS . 12.6 m-85 -110.9 163.13 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -92.94 70.08 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.24 -178.48 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -104.79 151.4 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.7 tt -47.96 -36.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -68.47 -41.96 79.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -57.52 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -53.68 -40.51 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 27' ' ' VAL . 34.5 t-105 -62.88 -44.37 96.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -32.43 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -76.75 -14.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' TRP . 5.7 m -128.76 45.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.9 p -165.85 30.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 p -140.65 -178.85 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -43.88 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -45.55 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.17 -43.85 63.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.07 -55.0 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.31 -20.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -15.28 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HD23 ' A' ' 137' ' ' LEU . 9.0 p-90 -143.87 -63.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' A' ' 38' ' ' MET . 46.2 t80 -46.97 -87.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.414 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -174.3 167.22 2.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.83 9.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.819 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -163.35 171.05 16.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -99.43 46.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASP . 89.8 t80 -34.44 136.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.33 136.36 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.49 67.37 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -144.31 136.85 26.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.49 139.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.61 31.74 9.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 t60 -102.44 69.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.14 145.75 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.3 p90 -138.57 -174.52 3.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.18 145.99 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 40' ' ' ASN . 84.2 t -133.01 155.12 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -108.19 117.66 34.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.53 151.44 67.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.58 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -113.59 51.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.01 158.87 34.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.524 ' HG ' ' HG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER -136.21 96.63 12.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.27 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 9.0 m -116.02 155.11 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -134.8 113.78 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 66' ' ' ILE . 48.5 t -61.39 138.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.42 -54.15 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.21 147.46 52.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 63' ' ' VAL . 73.8 mt -131.12 125.71 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -157.1 78.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.98 -50.98 24.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.4 3.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.7 -73.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.77 -173.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.58 162.79 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.26 154.61 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 47.1 p90 -155.52 153.19 29.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.8 p -93.31 168.94 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -130.02 113.13 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASP . 2.0 m-20 -69.58 -176.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.524 ' HG1' ' HG ' ' A' ' 59' ' ' SER . 70.6 p 37.6 33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.0 m-20 -166.09 -71.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 110.19 -3.17 29.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 21.3 m0 -77.82 146.24 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 75' ' ' SER . 7.0 t -116.29 135.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 64.0 t -124.02 128.56 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 p -136.85 138.56 40.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' A' ' 83' ' ' VAL . 10.9 m-85 -115.19 112.69 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.64 153.15 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.88 136.18 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 95' ' ' THR . 1.7 ttpt -134.85 127.39 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -79.94 119.27 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.8 mt -108.71 -35.85 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 105.74 -169.37 15.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 47.87 35.12 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 60.17 36.69 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mtmt -130.74 147.32 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 88' ' ' LYS . 6.5 m -148.16 144.01 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.19 120.18 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -109.24 117.41 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.606 HG23 ' OG1' ' A' ' 13' ' ' THR . 16.7 m -124.15 109.28 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -91.26 130.9 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.92 120.39 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.507 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -121.64 116.29 24.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.5 -155.42 6.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.91 -23.36 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.754 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 33.6 m95 -64.24 -178.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -132.85 -61.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 147.18 43.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.489 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -32.89 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.0 149.02 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 116' ' ' ALA . 19.6 mm -108.92 154.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.754 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -83.76 158.31 62.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.03 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -75.63 -77.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . -39.37 -61.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 10.1 t-20 72.2 171.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 70.57 160.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -50.73 128.65 21.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.561 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 11.3 m -64.5 -39.81 94.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 p -54.33 -43.54 71.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.01 -46.5 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.501 HG21 ' CZ2' ' A' ' 81' ' ' TRP . 5.3 mm -68.98 -39.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.0 mtp180 -54.59 -47.37 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -72.15 -48.76 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -50.91 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.4 tpt -69.86 -34.83 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 130' ' ' VAL . 2.9 t -58.77 -53.83 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.32 -57.02 16.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.68 -40.42 48.27 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.656 ' O ' HG23 ' A' ' 133' ' ' VAL . 17.7 m95 -67.91 -42.29 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 126' ' ' SER . 69.1 t -58.0 -47.01 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -70.48 -52.7 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.65 -34.73 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 129' ' ' TRP . 12.2 t -70.67 -33.38 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -116.78 41.73 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.8 mm-40 -142.04 -57.08 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 140' ' ' VAL . 21.7 mtmt -108.01 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.7 tm? -35.96 -64.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' ' CE1' ' A' ' 16' ' ' PHE . 7.6 tttt -51.01 -49.34 60.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.38 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 136' ' ' LYS . 36.4 t -59.53 -55.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -62.24 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.475 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.9 OUTLIER -51.92 -44.58 63.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.938 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.535 0.207 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.81 173.64 12.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -162.23 -178.68 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -86.92 145.67 26.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.63 -162.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -57.69 145.96 32.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.616 HD22 ' HD3' ' A' ' 122' ' ' ARG . 0.8 OUTLIER -40.84 130.46 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.73 169.12 6.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.87 145.98 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' ILE . 9.1 mt -76.43 84.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -85.29 136.74 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -133.4 79.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.526 ' OG1' HG23 ' A' ' 98' ' ' THR . 89.7 m -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 tt -150.77 151.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.54 121.49 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -107.94 156.37 19.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -86.12 76.43 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -167.11 174.62 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.7 m -99.23 160.91 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.4 tt -55.64 -43.34 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -65.01 -32.41 74.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.1 ttpp -75.55 -55.15 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.04 -35.36 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.1 t-105 -65.55 -44.68 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -30.83 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' CG1' ' A' ' 140' ' ' VAL . 49.3 t -76.64 -15.22 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 27' ' ' VAL . 3.3 m -131.34 52.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 p -166.39 30.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -141.69 163.79 31.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.53 -51.68 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -39.51 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.79 -42.43 68.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.48 -53.23 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.07 -20.31 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -50.59 -26.53 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.7 p-90 -132.9 -65.74 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' TRP . 42.0 t80 -34.7 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -175.49 168.75 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.855 ' HB2' HG12 ' A' ' 52' ' ' VAL . 4.4 p30 -157.95 -163.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.42 69.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 21.0 t80 -48.0 163.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.66 HG21 ' ND1' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -158.07 121.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -86.22 76.1 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.9 mt-10 -149.92 134.74 17.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 t -73.83 128.2 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 9.0 87.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.66 ' ND1' HG21 ' A' ' 43' ' ' VAL . 7.4 t-80 -91.41 127.44 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 62' ' ' LYS . 12.9 mt-10 -106.31 169.36 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 11.2 p90 -168.73 -176.71 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 33.9 t-80 -118.42 144.05 46.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' A' ' 40' ' ' ASN . 8.8 m -133.89 168.46 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -95.4 94.74 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.99 156.62 57.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.51 7.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.74 30.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.41 -170.25 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 115.42 4.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.828 ' O ' HG22 ' A' ' 52' ' ' VAL . 49.3 m -132.72 119.04 15.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.95 -174.43 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 1.7 m -148.52 161.38 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -143.62 123.08 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 66' ' ' ILE . 84.3 t -70.68 135.77 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.03 -52.57 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.4 146.57 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HG11 ' A' ' 63' ' ' VAL . 73.0 mt -130.94 114.96 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -146.13 83.79 1.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -48.5 -50.86 56.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.01 54.29 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 168.2 -73.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.94 -177.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -143.5 168.22 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.24 151.59 39.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 25.6 p90 -156.18 145.67 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.9 p -97.18 160.16 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.542 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -111.31 120.94 43.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.42 177.79 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m 38.3 34.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.45 -61.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.03 42.19 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -126.85 143.91 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.25 141.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 101' ' ' HIS . 58.8 t -137.29 133.45 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.1 p -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.765 ' CE1' HD12 ' A' ' 99' ' ' LEU . 2.4 m-85 -125.66 116.27 21.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.29 151.2 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mp -127.67 140.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 95' ' ' THR . 3.0 ttpt -133.58 124.9 27.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.7 101.67 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.61 -48.01 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.41 -169.55 12.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 50.4 29.9 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.5 32.82 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' GLY . 26.0 mttt -128.95 155.57 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.3 m -153.74 141.44 19.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.3 115.19 21.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.58 126.99 48.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 13' ' ' THR . 17.7 m -132.05 110.41 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -96.63 121.76 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.27 122.25 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.62 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.5 t-160 -131.92 111.54 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.41 -144.41 4.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.59 -39.06 2.2 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 8.4 m95 -52.89 176.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 1.2 t60 -136.1 146.0 54.65 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.99 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.37 -24.14 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.67 150.82 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 117' ' ' LYS . 27.5 mm -108.0 158.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.71 150.75 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.01 172.64 15.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 66.96 -72.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -64.26 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 6.1 t-20 82.37 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.98 154.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 110' ' ' ILE . 12.7 mttp -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.612 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 54.6 p -52.92 -33.56 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.3 p -60.91 -40.04 91.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 10.7 mt -62.25 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.33 -45.23 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.616 ' HD3' HD22 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -55.63 -44.71 77.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.76 -53.14 44.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.35 -48.44 71.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 3.4 mmt -69.81 -47.83 61.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 41.4 t -52.11 -51.82 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.44 -62.29 6.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -53.83 -23.13 21.18 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.459 ' CD1' ' O ' ' A' ' 125' ' ' MET . 9.1 m95 -77.98 -46.06 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t -54.48 -34.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.9 -51.49 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.8 mt -54.84 -43.75 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.77 -28.6 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -116.59 36.74 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.3 mm-40 -141.57 -81.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.986 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.9 mttp -79.47 -56.37 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -37.74 -41.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 16.1 tttm -68.39 -55.74 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -26.71 57.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 136' ' ' LYS . 16.0 t -72.51 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.09 -56.26 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.08 -38.05 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 mtp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.561 0.219 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.98 54.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -128.23 172.56 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -156.32 141.94 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.79 176.85 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 105' ' ' LYS . 1.3 m 53.62 178.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 107' ' ' PRO . 24.5 mt -83.2 118.38 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.35 168.3 18.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 100' ' ' ILE . 41.8 m-20 -92.65 133.18 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 122' ' ' ARG . 13.7 mt -62.36 84.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' ASP . 33.1 ttmt -89.36 138.26 31.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -137.5 90.93 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -85.04 119.0 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -146.91 153.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -109.52 127.6 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -109.66 143.88 38.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -78.95 62.36 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.17 -171.75 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -111.17 153.13 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -49.47 -48.97 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -56.21 -33.51 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -77.21 -57.44 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.671 HG12 HD21 ' A' ' 87' ' ' LEU . 31.8 t -53.49 -36.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 29.0 t-105 -61.75 -48.13 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -54.81 -30.92 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG11 ' CD1' ' A' ' 137' ' ' LEU . 24.2 t -74.69 -11.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 23' ' ' VAL . 14.7 m -134.56 46.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -163.57 29.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.8 p -144.59 174.13 11.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.28 -47.12 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -49.59 58.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -53.12 35.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' THR . 26.4 mt -63.48 -47.52 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.733 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.47 27.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -1.72 29.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.576 ' CH2' HD22 ' A' ' 137' ' ' LEU . 25.2 p-90 -172.21 63.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.026 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' MET . 64.0 t80 -178.69 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.22 165.86 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 121.3 6.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.496 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.92 169.37 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -109.64 68.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -47.12 148.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.815 HG21 ' CG ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -132.31 142.92 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.72 75.99 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.73 131.91 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.67 130.41 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.5 2.23 87.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.815 ' CG ' HG21 ' A' ' 43' ' ' VAL . 1.6 t60 -82.55 124.64 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.45 166.46 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 9.3 p90 -167.51 -178.02 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.93 159.75 35.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 59' ' ' SER . 2.4 m -132.86 146.7 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -92.66 125.49 37.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.04 146.8 62.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -179.35 -60.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.97 149.5 20.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 52' ' ' VAL . 3.2 m -124.2 98.77 38.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.36 18.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 12.9 m -141.52 157.94 44.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -133.13 124.96 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 66' ' ' ILE . 42.3 t -63.83 141.55 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.44 -56.89 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -140.69 149.26 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 63' ' ' VAL . 61.9 mt -128.69 124.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -157.02 77.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -45.74 -50.73 32.45 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.04 54.18 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.38 -73.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.54 -172.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.83 166.09 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.95 151.89 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 p90 -157.2 145.27 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.6 p -93.18 170.27 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.2 t90 -123.78 120.13 31.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -80.47 -179.63 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 39.64 32.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -162.78 -61.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.66 35.22 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' TRP . 22.1 m0 -111.74 161.47 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.37 140.54 48.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 99.1 t -134.47 126.6 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -140.06 134.2 31.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.711 ' CE1' HD12 ' A' ' 99' ' ' LEU . 6.6 m-85 -114.74 114.62 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.667 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -84.33 153.37 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 HG12 ' A' ' 23' ' ' VAL . 7.2 mp -136.43 139.93 42.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -136.21 122.38 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.83 106.85 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.22 -46.41 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.19 -171.98 16.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 48.18 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 36.07 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.2 mtmt -133.14 149.02 52.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -147.54 145.72 29.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.67 120.05 32.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.57 133.78 50.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 100' ' ' ILE . 20.3 m -131.64 105.71 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.711 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -89.22 115.7 26.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 98' ' ' THR . 2.8 mp -118.29 121.72 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -128.74 109.65 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.86 -159.41 9.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.2 -35.36 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 111' ' ' LEU . 4.1 m95 -67.24 -169.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.715 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -141.86 -79.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -102.89 147.6 34.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.575 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.99 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.16 -48.21 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.33 152.25 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -125.67 149.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -80.06 154.2 74.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -61.24 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . -40.0 -65.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.7 t30 71.75 72.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.13 153.14 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.8 mttt -51.43 118.26 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.536 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -60.03 -23.79 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 90.8 p -75.95 -35.61 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 117' ' ' LYS . 97.4 mt -76.03 -42.49 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.496 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.4 mm -60.84 -40.57 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.657 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.13 -49.25 78.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.73 -45.95 80.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -51.67 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.404 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -67.36 -44.19 79.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 37.1 t -63.18 -52.17 63.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.77 -52.98 23.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.25 75.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.582 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.5 m95 -78.33 -39.08 40.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.63 -43.05 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.49 -51.78 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.76 -40.05 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 129' ' ' TRP . 26.7 t -66.83 -32.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -114.64 40.0 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.3 mm-40 -141.41 -73.25 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mtmm -81.01 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.642 ' CD1' HG11 ' A' ' 26' ' ' VAL . 10.6 tp -39.32 -52.7 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.66 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.5 t -66.42 -55.27 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.11 -57.18 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.96 -39.11 73.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.508 0.194 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.78 -177.41 6.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.438 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 17.5 tt0 -41.33 136.16 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -68.53 143.25 54.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' GLN . 36.7 m-80 -162.05 166.16 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER 55.86 171.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 107' ' ' PRO . 24.5 mt -91.95 179.97 5.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -139.41 -170.58 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -102.07 114.48 28.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 122' ' ' ARG . 9.1 mt -48.38 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASP . 31.1 ttmt -96.13 145.81 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.614 ' OE1' HG22 ' A' ' 130' ' ' VAL . 32.4 mt-30 -147.65 92.76 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.421 ' CG2' ' OE2' ' A' ' 96' ' ' GLU . 28.2 m -88.02 124.6 33.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.38 154.78 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.27 123.8 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' HB3' HG11 ' A' ' 141' ' ' VAL . 27.8 m-85 -107.22 152.37 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.39 71.87 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.82 -173.68 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -110.01 158.92 17.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 3.2 tt -53.1 -39.77 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -58.79 -43.87 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -52.23 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 27' ' ' VAL . 57.8 t -56.49 -35.78 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HA ' HG22 ' A' ' 27' ' ' VAL . 37.1 t-105 -68.45 -50.39 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -34.3 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 137' ' ' LEU . 18.8 t -75.02 -22.49 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG22 ' HA ' ' A' ' 24' ' ' TRP . 8.1 m -120.35 45.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -165.6 31.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.2 p -142.18 -176.23 4.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -108.45 -35.35 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -42.67 20.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.73 -53.27 35.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 60.5 mt -60.51 -46.54 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -55.57 -20.43 13.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 8.36 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.644 ' CH2' HD22 ' A' ' 137' ' ' LEU . 9.8 p-90 -172.67 54.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -178.28 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 38' ' ' MET . 0.0 OUTLIER 167.56 164.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.32 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 6.9 p30 -158.4 175.38 13.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.32 62.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 72.5 t80 -37.72 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.0 123.89 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -90.22 80.8 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -154.23 131.64 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HD12 ' A' ' 66' ' ' ILE . 40.9 t -68.64 130.26 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.39 89.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.0 151.89 23.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.64 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.93 170.28 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.1 p90 -144.99 147.58 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.57 135.64 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.578 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 59' ' ' SER . 2.6 p -122.52 161.91 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 52' ' ' VAL . 4.0 mm100 -114.9 91.28 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 172.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.17 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.23 91.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.09 122.42 4.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.97 15.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 21.1 m -136.54 99.57 10.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 54.5 m -106.07 147.41 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -124.42 127.55 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 66' ' ' ILE . 32.8 t -65.26 124.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.18 -56.18 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -133.89 147.6 51.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.544 HD11 HG11 ' A' ' 63' ' ' VAL . 72.9 mt -126.88 127.88 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -161.25 77.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.61 -51.25 29.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.05 54.43 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 168.43 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.24 -172.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.55 170.54 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.82 157.2 44.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 20.9 p90 -156.99 153.16 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' CYS . 33.4 p -105.02 162.87 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -117.96 114.15 22.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -72.81 175.27 6.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 78' ' ' THR . 1.0 OUTLIER 41.43 32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -157.38 -71.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.88 29.77 4.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -107.76 146.35 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.83 129.89 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 47.9 t -130.25 137.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -147.28 142.26 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.58 113.34 24.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.89 151.83 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.3 mp -129.38 142.22 50.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -135.72 125.89 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.32 103.61 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 96' ' ' GLU . 51.5 mt -92.7 -40.33 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 102.96 -171.26 20.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 49.21 34.96 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.77 34.23 14.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mtmm -131.77 145.95 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.88 145.02 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -91.13 117.62 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -104.46 127.18 52.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 HD11 ' A' ' 100' ' ' ILE . 23.8 m -130.7 108.56 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.38 131.6 36.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.523 HD11 HG22 ' A' ' 98' ' ' THR . 3.4 mp -128.08 126.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.21 106.92 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.28 -168.29 13.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.45 -9.6 5.3 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.817 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.8 m95 -103.98 178.56 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 6' ' ' THR . 12.3 mtpp -140.79 -78.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m80 -100.29 141.97 23.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.612 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 -20.7 16.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -54.68 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.13 164.12 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 111' ' ' LEU . 3.9 mm -126.83 163.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.817 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -92.38 158.61 38.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.03 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -71.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.1 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 1.2 t30 71.54 172.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 68.91 155.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -50.59 120.05 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.551 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.3 m -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.0 p -42.86 -41.69 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.56 -39.37 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.562 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.6 mm -57.69 -49.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.9 ptm180 -66.42 -25.53 66.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 15.9 t0 -72.8 -51.95 16.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.99 -39.14 91.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -50.3 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 130' ' ' VAL . 27.5 t -54.48 -52.78 60.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.14 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.22 -36.65 93.49 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.1 m95 -61.27 -41.61 97.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.614 HG22 ' OE1' ' A' ' 12' ' ' GLN . 53.0 t -61.86 -52.11 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -62.63 -52.38 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.5 mt -55.0 -40.78 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -65.78 -29.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.99 41.26 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.5 mm-40 -142.44 -56.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 140' ' ' VAL . 20.3 mttm -101.56 -72.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.644 HD22 ' CH2' ' A' ' 36' ' ' TRP . 16.2 tp -37.35 -41.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 37.1 tttm -60.62 -55.09 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.94 -30.11 71.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 136' ' ' LYS . 71.6 t -63.46 -55.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.2 t -72.55 -41.56 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 4.9 tt0 -67.74 -21.3 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 mmm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.541 0.21 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.72 165.64 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 179.41 167.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -121.77 145.63 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.13 -2.63 11.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.31 174.06 7.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 104' ' ' TRP . 15.4 mt -84.0 105.6 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -71.89 153.12 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 100' ' ' ILE . 4.3 m-20 -77.72 133.15 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.439 HD11 ' CB ' ' A' ' 122' ' ' ARG . 23.9 mt -60.63 84.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASP . 22.9 ttmt -88.83 130.62 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.879 ' OE1' HG22 ' A' ' 130' ' ' VAL . 13.9 mt-30 -130.72 82.78 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -81.35 123.88 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 tt -149.96 151.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.37 126.64 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -113.27 158.42 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -85.95 75.67 9.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -168.37 172.35 8.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -95.25 156.12 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.33 -35.81 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -64.02 -45.31 89.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -65.61 -56.21 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 27' ' ' VAL . 90.2 t -52.2 -45.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CZ3' HD22 ' A' ' 72' ' ' LEU . 27.2 t-105 -57.23 -46.74 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -31.64 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG13 HG11 ' A' ' 140' ' ' VAL . 74.0 t -77.45 -0.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 23' ' ' VAL . 31.5 m -144.65 40.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 97.8 p -160.7 35.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 p -149.96 176.77 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -46.36 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -39.7 28.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.54 -46.04 66.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 42' ' ' PHE . 61.9 mt -75.13 -46.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.56 -20.77 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -72.7 -4.63 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 17.4 p-90 -173.45 66.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -179.61 -70.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.5 mtm 171.16 165.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.93 178.13 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.09 72.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 78.0 t80 -40.22 146.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG1' ' CD1' ' A' ' 50' ' ' PHE . 1.2 p -135.56 128.2 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 44' ' ' LEU . 9.6 tp -95.66 66.03 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -141.58 136.02 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.23 137.41 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.25 25.61 54.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' ND1' HG21 ' A' ' 43' ' ' VAL . 14.3 t-80 -110.38 86.74 2.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.586 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 152.13 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.4 p90 -130.16 -173.61 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.66 136.79 53.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG12 ' HB3' ' A' ' 40' ' ' ASN . 2.1 m -122.84 164.83 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -113.51 113.3 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.06 160.65 31.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.74 14.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 79.44 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.74 145.5 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 142.92 28.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 m -132.47 96.76 18.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -111.45 136.51 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 115.87 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 66' ' ' ILE . 87.6 t -61.99 130.02 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.47 -57.03 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.48 148.9 49.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.966 HD11 HG11 ' A' ' 63' ' ' VAL . 81.0 mt -137.45 113.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 5.8 m-20 -147.91 80.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.23 -51.15 26.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.06 54.57 3.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.01 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 177.25 -173.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -149.23 165.83 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 151.7 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 31.0 p90 -157.07 147.7 21.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 82' ' ' VAL . 41.9 p -92.56 159.38 15.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.71 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 108.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.51 -175.9 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 p 46.17 29.65 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.23 -72.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.19 2.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.416 ' HZ2' ' HB1' ' A' ' 114' ' ' ALA . 20.8 m0 -107.35 166.77 10.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.8 t -135.65 137.11 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 52.2 t -133.78 128.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.8 t -136.2 133.43 37.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' HD13 ' A' ' 99' ' ' LEU . 53.3 m-85 -104.82 112.94 26.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.26 154.51 25.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -142.9 129.47 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -125.95 135.04 51.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.52 109.54 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -97.53 -47.45 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.41 -170.13 14.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.85 24.77 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.253 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.93 30.8 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLY . 22.1 mttt -123.4 161.41 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -154.94 146.59 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.62 110.57 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -100.47 126.15 46.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.789 HG22 HD11 ' A' ' 100' ' ' ILE . 56.4 m -131.8 116.89 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.523 HD13 ' CE1' ' A' ' 85' ' ' PHE . 2.8 tp -97.63 123.68 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.789 HD11 HG22 ' A' ' 98' ' ' THR . 3.6 mp -123.82 124.69 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.5 t-160 -128.11 109.49 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.89 -171.88 15.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.32 -36.46 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 0.9 OUTLIER -78.69 -170.21 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -147.39 -76.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -106.73 134.37 19.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.555 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.97 -53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 141.22 55.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.506 HD11 ' HG2' ' A' ' 117' ' ' LYS . 10.7 mm -96.65 161.0 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -100.14 153.58 37.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.578 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -94.71 73.97 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 113' ' ' LYS . . . 170.21 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 15.2 t30 78.01 179.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 63.21 143.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.6 OUTLIER -54.13 129.95 36.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 6.3 m -50.51 -51.75 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 11.8 p -48.15 -35.67 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.6 mt -78.7 -29.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 116' ' ' ALA . 45.5 mm -75.29 -50.17 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.43 -25.29 67.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -50.78 19.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -42.33 84.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -66.73 -45.92 77.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 130' ' ' VAL . 25.8 t -59.09 -53.18 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.52 -58.75 7.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.58 -34.29 69.24 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.785 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.3 m95 -68.77 -45.26 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.879 HG22 ' OE1' ' A' ' 12' ' ' GLN . 75.4 t -54.97 -48.99 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.25 -52.26 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.45 -32.72 25.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 129' ' ' TRP . 44.7 t -74.33 -32.79 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -115.84 40.43 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 6.1 mm-40 -141.15 -68.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.6 mttp -91.48 -67.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 18.4 tp -39.01 -45.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -58.45 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.74 -29.77 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.3 t -64.51 -55.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.597 HG23 HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -71.96 -54.54 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.12 -40.2 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.51 0.195 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.08 113.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -176.04 172.59 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.35 166.31 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -145.52 165.4 28.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 105' ' ' LYS . 1.4 m 50.98 177.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 104' ' ' TRP . 7.7 mt -87.09 168.32 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -119.32 171.98 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.41 125.55 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 10' ' ' ILE . 41.0 mt -60.26 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -91.06 132.89 35.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -128.66 89.52 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.42 HG23 ' OE1' ' A' ' 96' ' ' GLU . 76.7 m -82.32 123.99 29.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 97' ' ' PHE . 19.3 tt -150.61 154.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.18 132.66 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' HB3' HG11 ' A' ' 141' ' ' VAL . 24.9 m-85 -120.41 149.79 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -80.15 67.86 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.45 177.81 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -103.67 157.57 16.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.778 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.9 tt -49.7 -44.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -58.21 -48.2 81.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.719 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -61.27 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 HD21 ' A' ' 87' ' ' LEU . 97.1 t -53.48 -35.65 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.7 t-105 -63.03 -48.82 77.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 t -54.5 -31.41 55.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 137' ' ' LEU . 3.6 t -73.92 -5.8 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.13 43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -162.61 29.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -138.98 161.58 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.57 -44.3 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -42.9 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.73 -52.08 48.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.13 -43.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.89 -20.54 37.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -4.85 46.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 16.9 p-90 -167.18 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' MET . 8.7 t80 -178.74 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 161.26 165.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.83 5.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.34 -178.63 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -121.26 78.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.43 163.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 48' ' ' HIS . 1.4 p -153.14 143.1 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -111.48 78.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -156.46 123.11 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.541 HG23 HD12 ' A' ' 66' ' ' ILE . 39.6 t -60.37 127.39 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.2 2.98 85.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.528 ' CG ' HG21 ' A' ' 43' ' ' VAL . 14.8 t-80 -97.27 136.02 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.584 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.56 157.42 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.4 p90 -138.07 160.12 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.07 144.8 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.545 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 159.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -110.22 123.2 49.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.06 166.91 19.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.53 19.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.96 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.72 -169.03 37.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.0 m -114.22 96.83 43.85 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.62 38.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 72.1 m -130.86 143.82 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -123.54 126.47 46.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.872 HG11 HD11 ' A' ' 66' ' ' ILE . 75.2 t -65.14 134.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 75' ' ' SER . 96.4 mt -99.99 -54.3 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -137.48 146.02 43.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.872 HD11 HG11 ' A' ' 63' ' ' VAL . 69.7 mt -131.36 130.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.8 m-20 -163.01 81.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.7 tt0 -47.4 -50.95 46.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.51 -73.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.58 -175.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 169.74 17.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.86 150.18 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 34.4 p90 -153.43 145.59 23.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 64' ' ' LEU . 82.2 p -92.23 164.17 13.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -122.08 120.39 34.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.053 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.7 -175.06 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p 38.22 41.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.18 -82.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.8 1.44 8.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -82.99 155.71 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.1 t -122.84 137.32 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.591 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 97.5 t -128.45 120.98 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -137.0 145.81 44.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CE1' ' CD1' ' A' ' 99' ' ' LEU . 45.6 m-85 -115.14 113.3 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.686 ' C ' HD12 ' A' ' 87' ' ' LEU . 16.4 m-20 -85.4 153.87 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 86' ' ' ASP . 6.3 mp -138.41 140.56 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -135.27 125.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.74 113.33 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.86 -45.76 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.6 -171.63 14.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.9 25.54 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.95 30.29 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.7 mtmm -123.11 153.75 39.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.778 HG21 ' HA ' ' A' ' 20' ' ' ILE . 90.5 m -148.01 141.43 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' OE1' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -87.58 113.64 23.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 137' ' ' LEU . 1.9 t80 -99.13 127.67 45.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.3 m -133.28 107.2 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.444 ' CD1' ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -90.08 122.54 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 mp -118.46 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -131.15 115.6 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.34 -170.6 14.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.77 -32.03 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.593 ' HB2' HD13 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -93.33 161.61 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 6' ' ' THR . 2.7 mttt -119.97 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.721 ' CD2' HG23 ' A' ' 6' ' ' THR . 80.1 m80 -108.38 147.47 35.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' PRO . 11.5 t70 77.11 -56.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -58.8 128.73 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.5 mm -81.72 156.76 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.439 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -109.18 142.7 26.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.03 175.13 11.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.86 26.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -159.75 -62.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.4 t-20 75.92 -174.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.613 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 64.71 144.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.697 ' O ' HD12 ' A' ' 121' ' ' ILE . 3.2 mttp -52.2 126.56 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.581 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 34.1 m -61.42 -51.49 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 10.1 p -44.63 -27.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.66 -50.83 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 117' ' ' LYS . 2.3 mp -53.75 -50.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.82 -29.7 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -39.53 65.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -74.45 -48.68 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 129' ' ' TRP . 3.0 ttt -62.94 -43.46 98.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 31.3 t -56.61 -52.3 65.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.35 7.19 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.04 -35.36 83.5 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 125' ' ' MET . 2.5 m95 -63.83 -43.06 97.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.39 -53.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.52 -50.87 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.8 mt -54.31 -47.48 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.53 -29.43 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.05 35.87 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.96 -65.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' VAL . 50.3 mtmt -86.26 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 97' ' ' PHE . 26.0 tp -37.05 -46.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -54.15 -56.8 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.22 -30.26 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 136' ' ' LYS . 51.8 t -64.34 -55.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.719 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 1.8 t -65.66 -56.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.01 -32.06 63.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.512 0.196 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -157.89 174.1 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -41.27 159.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.25 145.34 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -149.56 173.68 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.483 HG22 ' H ' ' A' ' 7' ' ' LEU . 1.7 m 48.97 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' H ' HG22 ' A' ' 6' ' ' THR . 15.1 mt -93.52 158.89 15.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -109.96 169.38 8.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.07 121.88 37.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -56.88 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ASP . 8.2 ttmt -94.41 132.24 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -130.31 85.44 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.6 m -80.17 120.47 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 97' ' ' PHE . 18.0 tt -144.11 152.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' HG3' ' A' ' 96' ' ' GLU . 40.2 t -115.08 121.21 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' HG11 ' A' ' 141' ' ' VAL . 30.0 m-85 -106.71 157.06 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.4 66.19 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -155.12 176.75 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -96.12 160.27 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -54.67 -41.83 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' NE2' ' OE2' ' A' ' 68' ' ' GLU . 20.9 mm100 -66.05 -35.74 81.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.2 ttpp -69.06 -56.38 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 HD21 ' A' ' 87' ' ' LEU . 74.5 t -58.93 -40.54 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 36.0 t-105 -57.52 -45.29 85.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -57.35 -30.72 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 ' CG1' ' A' ' 140' ' ' VAL . 93.1 t -79.13 0.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.8 m -147.61 47.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -164.6 29.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -144.84 -176.53 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -104.35 -34.11 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -40.75 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.59 -53.55 40.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -61.35 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -19.8 7.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.49 6.67 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 11.5 p-90 -175.25 60.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' O ' ' SD ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 176.67 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 168.48 160.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.11 11.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' PHE . 5.4 t0 -108.5 59.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 88.2 t80 -37.54 143.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 50' ' ' PHE . 3.4 p -132.54 131.95 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -96.62 73.76 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -145.3 147.67 32.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.09 134.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.44 29.38 30.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 2.5 t-80 -98.51 112.81 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.568 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.1 154.26 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -147.65 -175.25 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.57 137.58 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 53' ' ' GLN . 94.4 t -129.88 165.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' N ' HG12 ' A' ' 52' ' ' VAL . 4.2 mt-30 -116.24 129.15 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.61 169.91 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.54 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -93.59 -59.43 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.63 -160.88 14.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 126.25 9.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.03 96.85 11.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.73 26.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 94.9 m -148.51 157.54 43.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -138.64 128.1 24.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 66' ' ' ILE . 54.5 t -64.67 142.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.68 -53.48 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -135.89 156.72 48.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 63' ' ' VAL . 66.8 mt -137.11 133.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.7 m-20 -166.26 76.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.6 tt0 -44.83 -50.64 24.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.29 3.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.28 -71.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.34 -171.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 161.41 42.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 157.15 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.477 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 17.3 p90 -156.98 142.26 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.8 p -90.25 159.79 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -116.76 115.22 25.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.987 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.7 t0 -79.03 177.75 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.8 -61.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 81.7 m-20 -79.07 -70.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.76 49.5 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -126.6 158.16 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -123.46 134.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 101' ' ' HIS . 62.1 t -131.46 141.43 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.5 p -149.97 147.71 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.753 ' CE1' HD12 ' A' ' 99' ' ' LEU . 7.8 m-85 -121.11 114.37 21.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -82.72 149.87 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -133.96 128.16 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -127.26 118.82 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.15 111.44 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 96' ' ' GLU . 21.5 mt -97.75 -40.92 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.07 -168.85 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 48.95 33.89 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.96 34.35 19.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.5 mtmm -128.73 150.42 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.9 m -144.66 149.49 35.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.662 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.8 tt0 -97.99 109.25 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 85' ' ' PHE . 68.3 t80 -98.54 130.37 45.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -132.67 109.29 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.1 tt -89.91 120.66 31.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.08 130.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.479 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.1 t-160 -131.79 109.32 10.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.12 -172.7 16.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.28 -22.32 4.22 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.852 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -87.22 174.0 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -137.4 -86.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 140.59 23.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -6.63 18.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -45.61 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.68 125.27 25.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 116' ' ' ALA . 7.1 mm -94.06 144.84 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.852 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -76.94 160.24 76.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -79.32 -50.69 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 111' ' ' LEU . . . -55.36 -60.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.597 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 2.0 m-20 64.64 154.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 77.51 160.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.595 ' HB2' HD12 ' A' ' 120' ' ' ILE . 48.8 mttt -51.95 123.9 11.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.542 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 26.5 m -62.9 -45.78 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 52.4 p -49.47 -29.13 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.595 HD12 ' HB2' ' A' ' 117' ' ' LYS . 65.4 mt -79.61 -35.73 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.439 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.1 mm -66.57 -50.43 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -63.12 -25.32 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.2 -46.22 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.01 -49.74 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -51.13 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' VAL . 46.4 t -55.51 -48.14 75.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.92 -55.67 24.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.58 -20.99 70.48 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 133' ' ' VAL . 7.7 m95 -78.79 -37.98 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' SER . 43.8 t -59.11 -46.15 92.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.01 -51.36 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.6 mt -55.05 -39.02 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 129' ' ' TRP . 22.0 t -67.59 -33.21 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.69 39.24 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.2 mm-40 -141.35 -69.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 140' ' ' VAL . 39.3 mtmt -80.87 -68.62 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 136' ' ' LYS . 2.3 tt -38.76 -47.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 9.4 tttm -52.96 -52.09 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -68.49 -28.63 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 136' ' ' LYS . 40.9 t -69.08 -55.0 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 26' ' ' VAL . 2.2 t -71.71 -56.88 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 10.1 tt0 -54.71 -35.52 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.538 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 64.83 117.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -74.84 176.27 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.41 162.61 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -119.14 174.2 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER 59.18 175.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 104' ' ' TRP . 3.8 mt -69.15 151.81 45.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 149.04 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -82.45 118.24 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 122' ' ' ARG . 14.1 mt -54.51 90.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.2 ttpt -98.35 128.48 44.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.606 HE22 ' N ' ' A' ' 130' ' ' VAL . 7.3 mt-30 -124.87 87.07 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -84.47 122.11 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' HZ1' ' A' ' 138' ' ' LYS . 18.0 tt -149.46 153.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 96' ' ' GLU . 45.4 t -113.08 121.84 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 141' ' ' VAL . 33.8 m-85 -106.84 141.8 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.64 62.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -150.54 -171.7 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -111.14 161.63 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.3 -41.34 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -65.49 -30.28 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -54.46 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.814 HG12 HD21 ' A' ' 87' ' ' LEU . 24.3 t -55.78 -36.31 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t-105 -61.06 -46.68 89.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -56.6 -31.14 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.61 HG13 HG11 ' A' ' 140' ' ' VAL . 55.6 t -77.84 -7.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.552 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 17.8 m -135.42 43.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -165.93 34.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 p -141.27 168.3 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.78 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -37.95 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.78 -52.76 40.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.25 -51.85 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.06 -20.69 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.49 -7.37 52.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.7 p-90 -168.68 65.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 107.949 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' MET . 42.8 t80 -179.11 -67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.452 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 164.38 167.36 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.694 ' CB ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -165.61 177.94 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.8 t70 -117.14 64.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' ASP . 69.4 t80 -37.45 156.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.776 HG21 ' ND1' ' A' ' 48' ' ' HIS . 2.6 p -148.55 118.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.06 78.97 9.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 6.4 mt-10 -155.18 138.92 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG23 HD12 ' A' ' 66' ' ' ILE . 78.6 t -74.2 131.07 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.56 10.02 74.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.776 ' ND1' HG21 ' A' ' 43' ' ' VAL . 7.6 t-80 -87.28 115.53 24.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.96 136.8 42.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 43' ' ' VAL . 1.1 p90 -133.97 -172.56 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.06 142.12 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' CB ' ' A' ' 40' ' ' ASN . 15.3 m -140.05 134.71 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -73.71 104.56 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.13 165.85 15.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -88.8 48.57 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.26 -172.06 37.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -137.5 96.29 10.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.999 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p -149.41 156.58 42.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -132.25 131.1 41.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 66' ' ' ILE . 99.0 t -66.51 134.31 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 75' ' ' SER . 36.5 mt -98.06 -52.64 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.48 150.15 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 63' ' ' VAL . 88.6 mt -134.96 127.69 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 m-20 -158.24 82.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -46.47 -52.45 29.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.21 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 169.03 -74.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 177.43 -177.95 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.549 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -141.26 170.58 15.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.54 150.67 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.4 p90 -153.46 141.32 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 64' ' ' LEU . 88.7 p -94.34 143.1 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CZ2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -100.63 114.65 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 107.991 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -75.54 -179.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m 38.25 45.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -170.03 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.8 43.43 1.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -128.42 162.52 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.29 133.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 72.4 t -129.97 130.05 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -139.96 135.24 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 99' ' ' LEU . 44.4 m-85 -103.25 112.76 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' C ' HD12 ' A' ' 87' ' ' LEU . 2.2 m-20 -85.13 150.93 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 23' ' ' VAL . 6.4 mp -136.74 138.17 40.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -134.0 130.12 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.47 118.14 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 96' ' ' GLU . 11.7 mt -108.99 -40.63 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 110.32 -167.7 12.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 47.87 34.88 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.7 m120 59.81 36.37 22.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' GLY . 8.2 mtmm -129.93 146.95 51.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -143.33 138.3 29.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.532 ' HB2' HD11 ' A' ' 90' ' ' LEU . 4.6 tt0 -85.21 109.26 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.4 t80 -96.73 128.02 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.804 HG22 HD11 ' A' ' 100' ' ' ILE . 50.1 m -133.18 106.81 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -90.67 122.13 33.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.804 HD11 HG22 ' A' ' 98' ' ' THR . 3.0 mp -118.31 130.05 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -132.98 107.48 8.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.33 -161.32 11.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.58 -42.68 1.4 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.646 ' HB2' HD13 ' A' ' 7' ' ' LEU . 3.6 m95 -65.51 179.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.715 ' O ' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -130.35 -73.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 145.72 32.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.94 20.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -52.38 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.56 140.4 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 116' ' ' ALA . 5.3 mm -101.22 161.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -103.55 145.68 31.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.4 Cg_endo -74.97 -49.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.71 49.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -176.62 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.6 t30 78.9 179.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 62.58 148.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -51.25 130.49 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.7 m -59.78 -50.76 72.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 78.0 p -45.61 -33.94 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.24 -37.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.503 HG21 ' CH2' ' A' ' 104' ' ' TRP . 35.4 mm -67.79 -50.37 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.99 -25.74 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.16 -59.09 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -55.21 -41.43 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -69.15 -48.34 62.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 130' ' ' VAL . 34.6 t -58.73 -47.95 82.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.23 -51.04 27.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.404 ' O ' ' CG1' ' A' ' 132' ' ' ILE . . . -67.36 -32.0 78.39 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.687 ' O ' HG23 ' A' ' 133' ' ' VAL . 11.7 m95 -65.91 -42.14 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.606 ' N ' HE22 ' A' ' 12' ' ' GLN . 76.4 t -59.71 -50.77 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -65.68 -51.95 55.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 128' ' ' GLY . 65.7 mt -55.65 -39.05 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 129' ' ' TRP . 13.4 t -66.77 -31.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 133' ' ' VAL . 3.1 m-80 -115.64 38.34 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.5 mm-40 -142.06 -62.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.4 mtmm -91.37 -69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 137' ' ' LEU . 1.6 tt -35.61 -56.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.511 ' HZ1' HD11 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -48.66 -55.84 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -60.29 -37.34 80.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.61 HG11 HG13 ' A' ' 26' ' ' VAL . 63.7 t -62.59 -55.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -63.68 -57.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -20.94 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.513 0.197 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.61 175.57 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 78.38 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.69 172.76 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.26 168.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.963 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER 59.67 173.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 107' ' ' PRO . 28.1 mt -77.67 161.57 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.69 177.11 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 128.98 35.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 122' ' ' ARG . 6.4 mt -59.91 95.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -94.92 131.65 40.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.636 HE22 ' N ' ' A' ' 130' ' ' VAL . 20.6 mt-30 -130.25 91.31 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.485 ' OG1' HG23 ' A' ' 98' ' ' THR . 83.1 m -90.95 122.49 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.1 tt -144.77 151.37 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.09 136.77 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 137' ' ' LEU . 44.3 m-85 -124.92 160.54 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -89.05 64.07 6.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.38 -178.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 149.55 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.77 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.5 tt -45.14 -42.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.601 ' OE1' HG23 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -59.29 -47.48 85.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HZ1' HG22 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -60.16 -56.01 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 27' ' ' VAL . 95.0 t -54.47 -37.6 38.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.0 t-105 -60.99 -45.89 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -58.43 -31.03 67.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.7 HG13 HG11 ' A' ' 140' ' ' VAL . 77.7 t -76.25 -5.85 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 23' ' ' VAL . 18.6 m -142.01 44.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -165.92 30.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 5.3 p -138.07 -176.23 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -104.16 -38.75 6.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -43.5 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.2 37.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 42' ' ' PHE . 36.1 mt -58.71 -47.37 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.26 -20.27 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -8.83 57.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.708 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.9 p-90 -171.27 65.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 33' ' ' ILE . 12.7 t80 -178.89 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 165.72 163.78 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.57 8.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.697 ' CB ' HG12 ' A' ' 52' ' ' VAL . 8.8 p30 -168.24 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' PHE . 3.1 m-20 -118.08 66.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CD1' HD12 ' A' ' 33' ' ' ILE . 64.9 t80 -37.64 156.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.771 HG21 ' ND1' ' A' ' 48' ' ' HIS . 2.8 p -146.58 127.11 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 44' ' ' LEU . 10.2 tp -94.05 64.7 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 1.7 mt-10 -142.85 139.2 30.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG23 HD12 ' A' ' 66' ' ' ILE . 75.9 t -69.5 136.36 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 23.52 48.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.771 ' ND1' HG21 ' A' ' 43' ' ' VAL . 32.7 t-80 -101.9 62.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 145.48 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD1' HG12 ' A' ' 43' ' ' VAL . 2.0 p90 -132.76 -172.17 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 146.16 49.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 40' ' ' ASN . 14.5 m -123.81 169.26 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.0 109.72 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.43 156.97 57.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.55 16.74 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 5.0 t80 -86.93 -37.2 17.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.3 162.81 14.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 130.67 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' VAL . 9.2 m -137.19 96.67 11.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.2 Cg_endo -75.01 133.59 16.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 11.1 m -104.28 167.12 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -142.75 113.72 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.451 HG11 ' CG1' ' A' ' 66' ' ' ILE . 85.9 t -56.01 124.84 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.79 -57.21 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -133.28 150.66 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.661 HD12 HG23 ' A' ' 46' ' ' VAL . 69.9 mt -126.6 124.61 65.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.5 m-20 -159.41 75.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.03 -52.18 20.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 54.07 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 178.86 -171.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -156.03 164.33 38.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.16 156.39 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 27.1 p90 -157.11 143.81 18.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 82' ' ' VAL . 2.4 p -89.56 137.4 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.77 131.38 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.956 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -78.87 177.0 9.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.402 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 70.3 p 47.98 23.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER 172.87 102.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.3 -19.07 3.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.821 ' NE1' HD22 ' A' ' 111' ' ' LEU . 1.2 m0 -54.13 119.32 4.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -93.91 158.53 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 48.8 t -132.52 128.25 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -136.59 137.86 40.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.12 112.7 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.427 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.98 155.76 19.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.427 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.2 mp -135.98 142.92 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -138.14 121.62 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.54 121.55 23.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 96' ' ' GLU . 22.3 mt -110.05 -43.55 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.01 -169.47 13.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 51.28 28.36 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.76 30.82 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 91' ' ' GLY . 4.9 mtmm -124.14 150.02 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.77 HG21 ' HA ' ' A' ' 20' ' ' ILE . 80.5 m -143.13 147.07 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.69 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -99.21 101.46 12.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -87.15 125.32 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.77 HG22 HD11 ' A' ' 100' ' ' ILE . 87.3 m -127.74 105.62 8.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -89.75 134.02 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.77 HD11 HG22 ' A' ' 98' ' ' THR . 1.9 mp -128.97 123.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -132.0 108.96 9.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.12 -156.49 10.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.43 -33.32 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CH2' ' NE1' ' A' ' 81' ' ' TRP . 1.4 m95 -84.71 173.77 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.963 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -141.33 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.4 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.477 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.96 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -40.25 8.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 110' ' ' ILE . 1.6 pt-20 -61.11 166.74 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.6 mm -138.06 130.41 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.821 HD22 ' NE1' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -78.74 146.61 69.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.03 170.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 -62.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' PRO . . . -74.87 -50.34 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.672 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 20.2 m-20 62.56 178.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.856 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 82.22 157.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.7 mttm -50.83 132.27 26.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 82.6 p -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.4 p -66.86 -44.17 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.52 -45.08 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.1 mm -67.61 -46.93 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.621 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.71 -42.76 62.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.17 -54.3 31.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -49.99 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -52.91 63.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.4 t -53.35 -49.87 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.64 -60.14 6.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.26 -29.65 60.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.2 m95 -72.03 -43.32 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.636 ' N ' HE22 ' A' ' 12' ' ' GLN . 8.1 t -60.2 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.29 -51.74 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.99 -36.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 129' ' ' TRP . 17.8 t -67.95 -34.36 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -113.83 40.8 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.0 mm-40 -141.54 -65.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 140' ' ' VAL . 32.9 mtmt -92.53 -64.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.708 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.4 tm? -39.42 -47.7 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -56.95 14.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -59.88 -32.59 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 136' ' ' LYS . 49.7 t -63.58 -54.94 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.511 HG22 ' HZ1' ' A' ' 22' ' ' LYS . 2.7 t -69.71 -57.09 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -32.15 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' GLN . 4.4 mt-10 -132.39 -174.84 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.48 94.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' GLU . 1.9 tt0 -169.93 -148.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -53.55 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.503 HG23 ' ND1' ' A' ' 106' ' ' HIS . 0.7 OUTLIER 68.46 176.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' A' ' 104' ' ' TRP . 38.0 mt -93.82 130.42 39.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -104.28 -174.09 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.1 m-20 -95.5 116.22 28.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 122' ' ' ARG . 23.4 mt -43.68 97.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.6 ttmm -96.3 127.63 42.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.861 ' OE1' HG22 ' A' ' 130' ' ' VAL . 3.2 mt-30 -128.48 83.24 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -83.6 121.65 27.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -149.93 151.05 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -109.82 125.28 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -112.9 159.27 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.36 69.39 9.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 22' ' ' LYS . . . -155.02 179.86 8.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -105.68 153.9 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 tt -49.1 -36.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -69.9 -39.22 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.69 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -66.41 -57.43 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -55.6 -35.57 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.63 ' HA ' HG22 ' A' ' 27' ' ' VAL . 48.3 t-105 -67.13 -45.93 75.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -56.99 -34.7 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.32 -14.22 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 24' ' ' TRP . 7.6 m -127.76 41.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.4 p -167.25 36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 p -146.61 172.61 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 -44.71 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -42.2 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.79 78.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 37' ' ' PHE . 51.4 mt -70.34 -52.92 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' MET . . . -57.23 -19.28 20.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' PHE . 2.0 p-90 -152.55 -68.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.014 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CB ' HG23 ' A' ' 33' ' ' ILE . 1.2 t80 -34.23 -69.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.83 158.54 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.44 13.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' CB ' HG22 ' A' ' 52' ' ' VAL . 16.5 p-10 -172.98 -172.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.28 61.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 33' ' ' ILE . 89.0 t80 -49.52 136.8 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.422 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -128.76 133.36 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -94.47 75.86 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CG2' ' A' ' 43' ' ' VAL . 1.3 mp0 -148.48 134.26 18.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.19 137.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.66 25.45 51.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -102.07 97.98 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.609 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.33 149.97 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.6 p90 -145.23 -175.66 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.58 145.06 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 40' ' ' ASN . 69.1 t -137.74 161.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' N ' HG12 ' A' ' 52' ' ' VAL . 69.8 mt-30 -107.57 133.73 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.25 163.85 39.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.34 20.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.66 -57.78 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.0 -163.42 21.92 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.3 3.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.9 96.89 28.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 63.5 m -147.93 157.98 43.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 122.51 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.17 148.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.83 -56.12 2.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.77 149.32 51.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.1 mt -124.8 127.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' HIS . 8.8 m-20 -162.33 77.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -46.26 -50.84 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.26 -72.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 176.15 -173.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -148.92 162.52 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.1 150.23 52.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 46.0 p90 -154.86 146.64 23.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -94.12 165.94 12.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -118.83 112.94 20.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -64.46 173.3 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m 38.33 40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.448 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -163.18 -66.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.21 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.561 ' HE1' ' HB2' ' A' ' 114' ' ' ALA . 8.1 m0 -100.75 160.11 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 11.1 t -132.69 126.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.0 t -123.17 127.78 74.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t -134.15 129.86 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 m-85 -103.69 113.04 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.37 157.32 26.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 23' ' ' VAL . 4.8 mp -143.94 130.3 19.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -129.05 127.3 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -75.84 105.59 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.66 -49.28 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.66 -171.75 13.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 47.98 35.58 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.54 36.45 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.7 mtmm -132.64 146.84 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.06 144.81 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.18 112.97 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CZ ' HD11 ' A' ' 137' ' ' LEU . 6.5 t80 -98.77 123.12 42.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.573 HG22 HD11 ' A' ' 100' ' ' ILE . 41.5 m -130.26 112.02 12.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 tt -88.72 115.4 26.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.573 HD11 HG22 ' A' ' 98' ' ' THR . 12.8 mm -109.77 110.43 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.511 ' CG ' HG22 ' A' ' 83' ' ' VAL . 6.9 t-160 -131.88 118.3 19.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.9 -153.13 7.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.83 -50.19 0.89 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.888 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 2.1 m95 -66.14 178.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 6' ' ' THR . 12.1 mttt -139.58 -80.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.503 ' ND1' HG23 ' A' ' 6' ' ' THR . 2.1 m-70 -102.98 134.75 19.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.496 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.44 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 142.92 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.3 mm -96.31 160.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.888 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -98.18 157.81 33.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.645 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.4 Cg_endo -74.96 -51.81 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -84.92 -52.07 6.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.774 ' HB3' ' CB ' ' A' ' 111' ' ' LEU . . . -48.05 -62.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 1.1 t30 72.87 157.78 0.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 71.97 163.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.46 124.28 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.607 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 3.2 p -60.37 -20.68 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.1 p -77.53 -42.14 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.9 mt -61.19 -46.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.55 -48.65 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.578 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -55.37 -41.47 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.38 -52.15 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -47.66 75.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.456 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.4 OUTLIER -69.28 -53.07 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.737 ' O ' HG23 ' A' ' 130' ' ' VAL . 40.7 t -54.55 -52.58 61.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.16 -54.06 41.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.39 -26.3 66.11 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.456 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 6.3 m95 -75.91 -40.57 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.861 HG22 ' OE1' ' A' ' 12' ' ' GLN . 68.7 t -57.29 -46.52 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.59 -51.26 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -54.86 -43.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.9 t -64.84 -29.59 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.8 37.84 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.4 mm-40 -141.67 -71.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.749 ' O ' HG23 ' A' ' 140' ' ' VAL . 10.4 mtmt -83.86 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 1.2 tt -38.56 -48.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -51.1 -51.87 49.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.88 -33.99 74.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 136' ' ' LYS . 42.1 t -62.19 -52.4 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.69 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 2.0 t -68.9 -57.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -34.9 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.491 0.186 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.03 119.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -119.85 133.91 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ASN . 3.3 tt0 -177.07 149.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 33.8 m-20 -176.35 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.33 154.49 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.599 HD11 ' OG ' ' A' ' 118' ' ' SER . 19.8 mt -70.3 144.91 51.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -98.22 156.43 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 132.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.22 84.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -85.54 134.58 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.497 HE22 ' N ' ' A' ' 130' ' ' VAL . 45.5 mt-30 -131.27 90.85 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.7 m -88.76 119.0 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.441 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 10.1 tt -146.26 154.37 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.08 121.11 64.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HG11 ' A' ' 141' ' ' VAL . 40.9 m-85 -108.86 153.59 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -84.16 76.1 10.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -163.05 174.5 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.6 m -95.55 156.12 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.573 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.0 OUTLIER -54.61 -39.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.69 -33.75 75.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HB3' ' HZ3' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.86 -57.53 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.22 -35.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' HZ2' HD21 ' A' ' 44' ' ' LEU . 28.3 t-105 -59.05 -46.11 89.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 t -57.87 -30.96 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG13 HG11 ' A' ' 140' ' ' VAL . 79.2 t -76.07 -10.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.655 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.3 m -132.21 48.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.3 p -157.25 -44.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -71.01 159.66 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -86.32 -41.61 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -51.1 53.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.72 -52.39 52.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 50.8 mt -58.97 -45.98 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.26 27.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 13.14 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.655 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 7.6 p-90 -174.9 47.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -171.68 -72.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 53' ' ' GLN . 1.8 mtm 175.45 163.22 0.41 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.457 ' OD1' HG13 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -164.76 -175.19 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -120.45 62.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 33' ' ' ILE . 14.4 t80 -36.52 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.594 HG12 ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.01 132.64 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.502 HD21 ' HZ2' ' A' ' 24' ' ' TRP . 7.8 tp -98.17 78.63 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 5.5 mt-10 -151.95 137.72 17.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 66' ' ' ILE . 65.7 t -74.88 129.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.65 89.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -92.16 146.22 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.592 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.88 155.1 51.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -142.05 -176.11 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.98 148.95 39.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' OD1' ' A' ' 40' ' ' ASN . 15.1 t -126.78 161.73 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 38' ' ' MET . 5.8 tp-100 -101.71 90.25 3.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.63 158.91 31.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.94 19.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -116.11 59.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.33 172.94 48.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 t -111.5 97.42 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 95.1 m -147.63 158.56 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -137.25 118.47 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.915 HG11 HD11 ' A' ' 66' ' ' ILE . 99.5 t -58.16 127.83 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -90.94 -56.28 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.42 149.55 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 HG11 ' A' ' 63' ' ' VAL . 15.3 mt -132.14 121.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -154.91 77.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 1.4 tt0 -44.82 -50.69 24.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.54 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.2 -73.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 179.31 -171.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -154.88 159.92 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.56 156.27 45.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 9.0 p90 -155.08 143.32 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 82' ' ' VAL . 94.5 p -93.22 167.68 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.455 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -123.83 119.19 28.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.21 171.84 13.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.8 p 44.7 27.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.69 -56.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.02 -19.47 54.66 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -59.38 145.91 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.4 t -120.37 143.87 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 25.4 t -136.76 137.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 t -146.47 145.71 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HE1' HD13 ' A' ' 99' ' ' LEU . 20.7 m-85 -121.8 112.95 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 155.97 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.36 135.29 38.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -132.44 124.08 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.25 114.7 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.18 -42.86 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.25 -174.41 15.52 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 53.03 25.11 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 72.88 26.67 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' GLY . 7.3 mtmt -119.52 145.79 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 20' ' ' ILE . 2.5 m -141.73 141.15 33.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -83.98 120.23 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.0 t80 -106.27 127.24 53.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 100' ' ' ILE . 21.6 m -133.01 109.08 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.621 HD23 HG21 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -94.94 131.48 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.567 HD11 HG22 ' A' ' 98' ' ' THR . 4.2 mp -130.7 129.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 113.85 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.08 179.24 16.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.34 -19.18 1.18 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.713 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.2 m95 -92.94 -165.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -160.73 -60.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -113.07 140.08 23.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.1 Cg_endo -75.0 -25.86 11.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -56.22 7.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.94 147.74 27.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 117' ' ' LYS . 3.2 mt -118.82 161.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.713 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 2.6 mp -87.21 158.55 52.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -69.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.01 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.9 t-20 79.14 -179.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.32 146.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG2' HD11 ' A' ' 110' ' ' ILE . 23.5 mttm -50.86 123.05 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.599 ' OG ' HD11 ' A' ' 7' ' ' LEU . 80.4 p -46.8 -37.83 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -54.98 -35.1 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.43 -50.94 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.04 -47.76 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -55.49 -48.11 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.28 -55.26 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.39 -51.36 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -32.2 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.8 t -59.64 -53.2 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.7 27.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -50.91 -30.69 22.94 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.0 m95 -78.57 -41.92 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.497 ' N ' HE22 ' A' ' 12' ' ' GLN . 13.0 t -60.63 -41.72 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.45 -51.58 16.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.44 -37.73 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 129' ' ' TRP . 24.1 t -67.84 -30.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.27 38.55 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.7 mm-40 -141.47 -71.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.834 ' O ' HG23 ' A' ' 140' ' ' VAL . 23.7 mtmt -79.47 -70.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 97' ' ' PHE . 10.1 tt -39.32 -51.43 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -49.12 -56.06 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 143' ' ' GLY . 3.0 mtpt -64.01 -32.05 73.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 136' ' ' LYS . 52.1 t -64.51 -54.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -65.62 -57.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -35.17 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.51 0.195 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.82 71.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -160.6 175.44 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.72 146.4 50.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -107.67 175.65 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' ASN . 23.8 p 46.39 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.89 115.65 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -47.81 153.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -86.68 128.03 34.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.551 HD11 ' CB ' ' A' ' 122' ' ' ARG . 57.4 mt -63.48 82.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' ASP . 29.1 ttmt -87.7 135.01 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -131.29 86.55 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -83.06 122.97 29.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tt -151.24 154.3 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG12 ' HE2' ' A' ' 94' ' ' LYS . 84.2 t -112.29 124.02 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HB3' HG11 ' A' ' 141' ' ' VAL . 12.7 m-85 -105.91 154.54 20.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.66 78.85 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -171.73 -175.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -104.61 154.07 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HA ' HG21 ' A' ' 95' ' ' THR . 4.5 tt -50.29 -42.94 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -56.62 -45.28 81.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -69.4 -53.71 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG12 HD21 ' A' ' 87' ' ' LEU . 87.2 t -55.19 -36.55 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 16.3 t-105 -67.01 -49.28 65.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -31.2 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.614 HG13 HG11 ' A' ' 140' ' ' VAL . 16.8 t -75.11 -5.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 24' ' ' TRP . 28.2 m -138.13 41.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -161.33 27.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 33' ' ' ILE . 11.9 p -138.13 173.83 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.97 -43.82 11.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -42.06 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.86 44.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 29' ' ' THR . 77.8 mt -62.58 -55.06 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.799 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.35 -21.89 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -7.82 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.573 ' CH2' HD22 ' A' ' 137' ' ' LEU . 16.0 p-90 -172.11 65.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' CZ2' ' A' ' 76' ' ' TRP . 72.5 t80 178.43 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 177.37 152.54 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 53' ' ' GLN . 18.2 Cg_endo -74.95 128.68 11.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.424 ' HB3' HG13 ' A' ' 52' ' ' VAL . 16.2 p-10 -173.32 178.82 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.05 78.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.3 154.08 14.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.611 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -147.01 134.73 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.8 tp -96.96 70.54 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 mm-40 -138.51 141.54 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.44 133.99 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 24.07 56.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 t60 -93.88 113.95 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.786 . . . . 0.0 109.609 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.09 144.69 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -141.09 -173.81 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 145.0 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 40' ' ' ASN . 47.9 t -142.82 152.79 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -100.47 138.71 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.01 161.7 61.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.4 18.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -131.36 53.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.17 177.7 46.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.4 12.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -137.19 96.93 11.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 9.7 p -160.48 159.93 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -136.23 125.21 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.58 138.87 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -99.34 -56.52 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.24 150.59 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mt -130.36 123.35 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.2 m-20 -154.98 77.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -44.91 -52.01 20.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.0 54.03 3.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.26 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.44 -171.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.57 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -151.42 165.96 32.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.18 154.98 49.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 38.0 p90 -154.81 147.35 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -97.05 136.92 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CZ2' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -98.56 115.93 29.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.91 171.83 14.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.4 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 58.14 40.99 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -178.68 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.13 40.37 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -118.17 161.46 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 3.9 t -131.59 137.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 39.1 t -135.71 131.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -141.74 138.19 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 27.3 m-85 -106.75 112.91 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.2 156.58 23.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -143.71 131.45 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 95' ' ' THR . 9.1 ttmm -128.91 122.12 29.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.25 120.45 15.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 96' ' ' GLU . 24.0 mt -110.76 -39.23 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 103.77 -168.09 16.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.68 34.66 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ALA . 9.9 m-80 60.72 37.5 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HE2' HG12 ' A' ' 15' ' ' VAL . 10.6 mttt -133.4 150.67 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 20' ' ' ILE . 92.0 m -149.91 147.77 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.9 tt0 -93.54 126.16 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 1.9 t80 -115.65 128.88 56.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.5 m -131.11 105.26 7.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tp -88.73 125.58 34.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.25 127.57 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -129.29 113.82 15.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.44 -166.41 10.74 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.148 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.69 -34.31 2.04 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -57.83 176.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -123.38 -49.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.22 149.81 25.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.63 15.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.48 -47.28 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.54 166.77 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.65 154.49 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -82.1 136.6 46.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.95 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 0.8 OUTLIER -80.58 54.24 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . 176.82 -73.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 8.4 t30 82.33 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 115' ' ' ASN . . . 175.59 133.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -51.23 118.25 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 t -47.68 -53.97 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 1.1 p -43.42 -34.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.8 mt -79.2 -48.03 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.7 mm -58.93 -50.16 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.551 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -64.86 -25.16 67.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -42.96 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -50.35 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -43.75 82.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 130' ' ' VAL . 16.2 t -59.09 -53.13 61.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -45.17 52.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.65 62.44 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.2 m95 -66.76 -38.25 86.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 126' ' ' SER . 87.2 t -57.99 -55.03 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -64.5 -51.25 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.69 -36.11 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.7 t -73.89 -29.02 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -115.61 36.99 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.8 mm-40 -140.58 -79.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 139' ' ' LYS . 0.8 OUTLIER -72.31 -69.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.573 HD22 ' CH2' ' A' ' 36' ' ' TRP . 24.9 tp -36.6 -52.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 1.7 tppt? -50.64 -52.69 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -65.26 -37.07 86.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.614 HG11 HG13 ' A' ' 26' ' ' VAL . 53.3 t -57.87 -55.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.4 t -72.08 -57.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -49.62 -36.94 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.513 0.197 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.91 171.62 15.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 72.12 161.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.8 tp60 -63.9 -149.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 4' ' ' GLN . 4.2 m-20 82.14 145.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.32 170.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 107' ' ' PRO . 26.4 mt -108.89 171.08 7.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -121.93 176.0 6.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -89.64 129.57 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.8 mt -60.45 83.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ASP . 7.9 tttt -89.43 144.83 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 33.1 mt-30 -145.81 95.56 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -90.71 122.06 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.11 154.56 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.87 126.92 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 141' ' ' VAL . 20.6 m-85 -116.55 149.81 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -79.65 77.35 6.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.673 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -163.85 -172.92 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -110.38 164.01 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 89' ' ' ASP . 2.2 tt -62.35 -37.73 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -67.94 -30.32 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.673 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 9.5 ttpt -78.49 -58.1 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.557 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -50.98 -36.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 35.3 t-105 -57.52 -43.75 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' THR . 0.9 OUTLIER -57.08 -35.9 69.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.832 HG22 HG12 ' A' ' 140' ' ' VAL . 45.9 t -71.32 -16.91 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 87' ' ' LEU . 27.7 m -126.37 38.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.6 p -165.21 31.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 4.7 p -130.04 155.76 45.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.6 -45.81 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -41.8 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.84 -52.92 45.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.56 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 16.2 mt -58.81 -46.57 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.21 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 14.96 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.655 ' CH2' HD23 ' A' ' 137' ' ' LEU . 5.5 p-90 -177.4 45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.408 ' O ' ' SD ' ' A' ' 38' ' ' MET . 82.6 t80 -170.96 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER 167.7 165.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.06 5.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -161.64 -171.77 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -123.67 67.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -39.41 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 ' CG ' ' A' ' 48' ' ' HIS . 2.7 p -150.64 113.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 74.03 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -152.15 128.36 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 66' ' ' ILE . 71.8 t -62.21 132.49 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.25 1.71 90.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.675 ' CG ' HG21 ' A' ' 43' ' ' VAL . 5.2 t-80 -98.24 140.02 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.07 160.33 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.7 p90 -136.74 135.51 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -81.99 144.01 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 53' ' ' GLN . 3.5 p -133.45 166.65 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.527 ' N ' HG22 ' A' ' 52' ' ' VAL . 28.1 mt-30 -116.14 90.68 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -91.77 156.8 42.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.23 18.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -117.29 51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.89 169.74 41.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.25 6.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 4.0 m -136.99 97.47 10.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.71 3.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 57.6 m -146.21 145.6 30.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.62 123.35 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.95 137.59 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 75' ' ' SER . 86.5 mt -102.28 -56.9 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -134.41 157.23 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.724 HD12 HG23 ' A' ' 46' ' ' VAL . 82.7 mt -133.99 131.68 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.0 m-20 -166.79 77.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.4 tt0 -46.74 -50.75 41.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.81 -72.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.37 -171.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.16 169.74 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.37 150.6 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 29.7 p90 -155.06 145.11 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 64' ' ' LEU . 92.5 p -97.35 151.56 19.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -100.45 114.06 27.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 107.974 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 49.9 m-20 -70.76 178.17 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.1 m 38.11 34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -163.7 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.08 38.61 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' TRP . 10.8 m0 -110.69 143.59 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 6.0 t -118.79 129.15 75.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 101' ' ' HIS . 52.6 t -129.01 127.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.6 p -135.87 129.12 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 99' ' ' LEU . 10.6 m-85 -108.06 114.14 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.47 157.62 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 27' ' ' VAL . 3.8 mp -141.81 118.94 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 95' ' ' THR . 3.9 ttpt -119.08 130.47 55.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.482 ' HB2' HG21 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -81.85 101.26 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 96' ' ' GLU . 39.8 mt -83.67 -44.35 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.42 -171.36 14.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 48.62 36.04 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 6.9 m-80 61.53 36.24 17.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.5 mtmt -133.06 144.36 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 88' ' ' LYS . 2.7 m -141.29 141.78 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' CB ' HD11 ' A' ' 90' ' ' LEU . 1.6 tt0 -86.4 111.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -97.6 119.11 35.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.714 HG22 HD11 ' A' ' 100' ' ' ILE . 86.6 m -125.14 105.37 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 98' ' ' THR . 2.7 mp -128.38 129.27 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -130.87 106.74 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.36 -166.73 21.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.24 -29.44 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.872 ' CE3' HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -95.16 168.71 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -135.86 -70.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -98.05 148.42 34.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.704 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 -38.8 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.12 -39.0 89.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -58.15 146.46 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 111' ' ' LEU . 20.1 mm -120.25 167.3 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.872 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.4 mp -115.89 148.81 42.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -89.51 44.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -165.68 -53.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.575 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 9.5 m120 62.2 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 75.35 155.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mttp -50.32 117.05 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.425 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 7.6 p -46.75 -29.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 p -68.21 -38.82 82.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.9 mt -61.25 -48.87 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.2 mm -63.17 -45.91 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.716 ' HG2' HD11 ' A' ' 10' ' ' ILE . 3.8 ttp180 -57.3 -49.09 77.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -65.04 -51.63 60.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -52.15 60.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.66 -46.45 89.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.561 ' O ' HG23 ' A' ' 130' ' ' VAL . 42.8 t -58.62 -48.59 80.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.57 -62.14 5.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.63 -27.49 68.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -70.2 -41.25 73.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' SER . 47.5 t -58.11 -53.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -61.9 -52.24 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.11 -40.9 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.08 -31.68 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -116.0 41.24 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.1 mm-40 -144.42 -53.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 140' ' ' VAL . 24.7 mtmt -105.07 -57.43 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.655 HD23 ' CH2' ' A' ' 36' ' ' TRP . 1.1 tm? -38.19 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.88 -54.53 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.6 OUTLIER -47.41 -46.32 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.832 HG12 HG22 ' A' ' 26' ' ' VAL . 55.7 t -59.34 -55.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -55.96 -57.23 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.65 -36.16 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.542 0.21 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -175.96 65.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 56.91 166.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -136.26 167.22 21.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.55 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 2.8 t-20 -102.05 -0.7 33.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -123.99 151.99 43.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.25 120.13 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -52.14 163.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.13 139.02 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 122' ' ' ARG . 73.7 mt -70.49 88.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -84.9 152.57 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.551 HE22 ' N ' ' A' ' 130' ' ' VAL . 61.1 mt-30 -153.15 78.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 m -79.38 119.43 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 tt -148.18 152.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 96' ' ' GLU . 41.4 t -110.88 131.57 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HB3' HG11 ' A' ' 141' ' ' VAL . 16.0 m-85 -112.9 153.32 28.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.59 64.73 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' CA ' ' A' ' 94' ' ' LYS . . . -155.22 -174.69 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -106.39 149.76 26.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.579 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.4 tt -47.26 -43.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.34 -32.55 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.4 ttpp -75.31 -52.85 9.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.32 -40.86 76.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 30.3 t-105 -60.09 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -32.1 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 140' ' ' VAL . 77.9 t -77.94 -5.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' VAL . 19.1 m -140.7 48.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -175.32 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 33' ' ' ILE . 8.4 p -148.27 -175.81 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -105.85 -39.55 6.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -42.34 20.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.55 -48.79 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 29' ' ' THR . 54.9 mt -65.96 -51.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -57.46 -18.52 18.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -12.76 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' PHE . 18.0 p-90 -148.2 -66.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' MET . 13.2 t80 -33.1 -68.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 160.17 172.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -160.06 -176.42 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.62 59.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -42.32 150.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.486 HG21 ' CG ' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -139.53 136.84 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 44' ' ' LEU . 13.3 tp -96.06 65.44 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 3.1 mm-40 -142.14 138.99 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.48 134.99 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.25 58.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CG ' HG21 ' A' ' 43' ' ' VAL . 28.5 t-80 -101.66 82.66 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 156.46 37.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.4 p90 -152.03 -171.46 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -110.51 150.46 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 ' CB ' ' A' ' 40' ' ' ASN . 61.9 t -138.29 164.14 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -112.87 133.41 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.21 154.94 82.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.27 9.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -112.51 -51.32 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.61 -176.25 41.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.11 3.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.83 96.88 28.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.29 10.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 3.4 m -137.84 170.43 16.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -147.48 114.79 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 66' ' ' ILE . 45.1 t -65.93 130.94 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -98.6 -57.19 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.85 149.32 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 63' ' ' VAL . 35.2 mt -137.96 114.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.09 80.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -45.07 -50.93 25.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.1 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 168.06 -74.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.71 -166.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.14 169.46 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.0 155.1 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -157.07 153.85 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 p -99.8 164.56 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -119.7 113.83 21.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.64 172.34 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m 44.17 42.34 4.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -163.15 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.98 36.82 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -119.05 176.37 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.1 131.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 77.1 t -117.28 125.51 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.6 t -128.45 125.09 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -98.86 169.66 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.837 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -145.44 151.75 38.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.837 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.4 mp -145.38 137.62 25.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.62 124.18 26.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.91 95.39 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 96' ' ' GLU . 29.5 mt -84.75 -45.88 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 113.33 -169.72 13.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 48.66 35.03 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 12.0 m120 61.82 35.29 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mttp -131.34 151.35 51.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.5 m -147.04 141.44 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.4 tt0 -84.23 113.15 20.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -103.98 125.58 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.549 HG22 ' CD1' ' A' ' 100' ' ' ILE . 3.3 m -131.78 108.6 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.572 HD23 HG21 ' A' ' 133' ' ' VAL . 0.9 OUTLIER -88.96 129.83 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.549 ' CD1' HG22 ' A' ' 98' ' ' THR . 1.6 mp -127.8 131.69 69.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.78 139.81 52.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -158.06 174.84 35.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.89 -26.66 0.64 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.87 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 6.7 m95 -70.9 -164.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 -79.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 5' ' ' ASN . 20.2 m80 -114.41 140.18 24.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.4 Cg_endo -75.01 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 -41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.47 152.71 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -109.98 157.85 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.87 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -91.47 151.52 42.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -61.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -46.75 56.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.848 ' HB3' ' HB3' ' A' ' 111' ' ' LEU . . . -58.33 -63.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 18.4 t30 80.4 171.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 66.18 158.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.524 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.4 OUTLIER -53.19 133.24 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 95.4 p -59.23 -47.01 86.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.9 p -61.33 -38.6 87.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 117' ' ' LYS . 13.0 mt -61.45 -50.71 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 116' ' ' ALA . 9.4 mm -64.26 -42.99 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.81 -44.04 73.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.99 -50.09 31.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.58 -52.26 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.45 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 4.2 mmt -58.75 -29.95 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -72.57 -52.77 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.08 -36.54 28.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.65 -37.03 12.42 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 125' ' ' MET . 7.6 m95 -65.04 -50.42 66.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.551 ' N ' HE22 ' A' ' 12' ' ' GLN . 40.6 t -55.62 -43.96 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.77 -52.43 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -38.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 99' ' ' LEU . 3.9 t -66.09 -33.21 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -116.81 42.76 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.4 mm-40 -142.78 -58.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 140' ' ' VAL . 14.8 mttm -100.86 -65.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -37.33 -57.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -48.86 -55.75 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.09 -40.43 76.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 136' ' ' LYS . 39.5 t -58.03 -54.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.461 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -66.28 -57.16 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -55.73 -20.89 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.439 0.161 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 64.97 98.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -115.37 170.61 8.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.3 169.91 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -147.06 168.86 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 HG22 ' CE1' ' A' ' 106' ' ' HIS . 24.2 p 46.16 -172.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -72.43 149.43 44.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.72 166.65 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -100.55 124.87 46.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 122' ' ' ARG . 6.6 mt -60.32 85.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG22 ' A' ' 98' ' ' THR . 12.0 ttmt -90.49 132.97 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.723 ' OE1' HG22 ' A' ' 130' ' ' VAL . 2.3 mt-30 -128.54 82.61 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 98' ' ' THR . 32.5 m -81.22 120.13 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 6.4 tt -151.04 155.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.37 135.77 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 58.2 m-85 -122.42 160.11 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.91 74.73 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.78 -175.26 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -114.04 150.4 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -46.23 -32.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -68.8 -48.64 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -54.09 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.02 -35.1 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 28.1 t-105 -66.47 -49.77 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.57 -31.95 62.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG11 HD22 ' A' ' 137' ' ' LEU . 20.7 t -74.74 -8.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.4 m -137.68 43.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -165.65 39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 5.6 p -145.49 -176.04 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.12 -41.46 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -44.04 19.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.02 -51.49 45.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.86 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.81 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -77.08 -2.52 34.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 14.3 p-90 -174.72 65.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' MET . 3.5 t80 179.01 -64.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 161.39 166.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.526 ' CB ' HG22 ' A' ' 52' ' ' VAL . 14.7 p-10 -162.43 176.88 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -114.88 66.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 29' ' ' THR . 54.5 t80 -37.64 151.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.2 p -147.36 119.07 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 tp -85.28 76.08 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -148.69 133.68 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 66' ' ' ILE . 55.2 t -67.79 135.41 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.44 16.42 65.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -110.06 116.38 31.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.634 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.54 157.16 17.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -131.0 171.09 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 144.49 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 40' ' ' ASN . 59.6 t -124.19 167.43 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' N ' HG12 ' A' ' 52' ' ' VAL . 5.0 mt-30 -128.17 117.52 21.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 156.95 66.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -105.64 -57.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.87 169.91 41.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.06 8.31 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -136.83 96.42 11.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -75.02 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -128.43 147.61 50.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -129.78 107.05 9.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 66' ' ' ILE . 80.2 t -55.83 125.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' SER . 20.1 mt -90.56 -55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.25 152.33 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 63' ' ' VAL . 60.3 mt -131.43 132.5 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.69 75.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -44.81 -50.99 23.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.28 3.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.562 1.822 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.8 -73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 179.43 -173.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -156.3 152.18 27.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -125.85 160.05 30.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.412 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 43.1 p90 -155.75 145.35 21.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.413 ' HB3' HD11 ' A' ' 64' ' ' LEU . 62.9 p -89.96 155.51 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.88 138.68 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.448 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -79.55 -178.98 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 33.0 p 37.07 45.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' THR . 1.5 m-20 156.35 110.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.93 53.22 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CZ2' ' CH2' ' A' ' 104' ' ' TRP . 10.1 m0 -117.29 134.47 54.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -106.05 146.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 101' ' ' HIS . 98.1 t -135.74 121.55 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 p -134.63 146.89 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CE1' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -119.88 112.83 19.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.99 149.62 26.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.49 141.35 51.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 tttt -129.72 132.04 46.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -83.65 102.72 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -93.68 -45.1 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 106.71 -169.53 15.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 47.96 35.76 5.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.4 m120 61.72 35.63 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.1 mtmm -132.03 148.48 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 m -149.3 142.18 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.02 121.64 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -105.7 132.4 51.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 11' ' ' LYS . 3.8 m -132.31 107.27 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 tt -90.52 119.44 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -122.01 117.18 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.559 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.3 t-80 -125.8 108.3 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -131.82 -156.25 8.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.48 -33.9 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.562 ' CH2' ' CZ2' ' A' ' 81' ' ' TRP . 10.0 m95 -55.91 176.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 -67.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.417 ' CE1' HG22 ' A' ' 6' ' ' THR . 1.4 m-70 -127.89 140.86 39.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -26.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -102.04 154.06 19.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 115' ' ' ASN . 15.1 mm -101.01 155.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.549 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -104.5 144.65 29.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.03 177.89 8.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.48 28.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.15 -56.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.415 ' HA ' HG22 ' A' ' 110' ' ' ILE . 1.0 OUTLIER 62.58 -171.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.854 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 65.85 145.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 117.08 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.545 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.0 p -50.88 -44.27 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 12.6 p -48.23 -30.22 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.7 mt -80.8 -48.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.854 HD11 ' HB3' ' A' ' 116' ' ' ALA . 2.6 mp -54.56 -50.53 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.17 -29.19 70.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.41 -46.89 46.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.85 -50.28 71.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -63.73 -44.98 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 130' ' ' VAL . 26.1 t -51.39 -52.95 41.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.16 -40.61 67.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.78 49.35 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.665 ' O ' HG23 ' A' ' 133' ' ' VAL . 2.5 m95 -68.53 -41.2 80.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 12' ' ' GLN . 82.3 t -60.03 -47.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.51 -51.66 40.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.74 -35.28 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -71.73 -29.11 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.433 ' ND2' HG12 ' A' ' 133' ' ' VAL . 2.6 m-80 -117.23 37.97 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.6 mm-40 -140.69 -53.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 140' ' ' VAL . 30.4 mtmt -101.39 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.603 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.3 tm? -36.83 -55.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -52.17 -54.39 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.97 -34.98 70.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 136' ' ' LYS . 38.3 t -64.49 -54.48 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -66.28 -57.18 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -56.32 -36.71 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.476 0.179 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -163.28 170.43 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.7 169.96 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.13 156.2 16.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER 62.34 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 107' ' ' PRO . 25.0 mt -86.39 169.47 12.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CZ ' ' A' ' 122' ' ' ARG . 7.1 m120 -121.72 173.57 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.16 134.99 37.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 122' ' ' ARG . 20.6 mt -66.01 84.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -83.21 139.29 33.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -137.23 86.74 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 m -88.28 121.16 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.51 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 8.8 tt -149.17 153.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 96' ' ' GLU . 67.5 t -110.14 121.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 35.0 m-85 -110.81 150.59 28.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -79.46 75.95 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -162.93 178.61 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LYS . 7.3 m -105.28 152.16 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.1 tt -42.81 -62.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 20' ' ' ILE . 1.3 pm0 -52.37 -29.13 22.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.584 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -71.15 -55.79 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HB ' HD23 ' A' ' 87' ' ' LEU . 89.2 t -62.89 -35.13 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.0 t-105 -59.46 -48.86 80.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -54.31 -30.86 52.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG13 HG11 ' A' ' 140' ' ' VAL . 40.1 t -75.46 -7.22 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 28.1 m -138.49 47.67 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -173.07 34.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -141.0 179.56 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 -44.77 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -41.85 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.07 -53.52 36.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 80.6 mt -64.48 -46.18 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.98 -19.9 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.76 9.72 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.639 ' CZ2' HD23 ' A' ' 137' ' ' LEU . 5.1 p-90 -176.22 54.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 25.3 t80 -178.79 -70.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 170.39 160.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.28 5.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -161.58 -178.46 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.99 78.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -53.81 161.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.636 HG21 ' ND1' ' A' ' 48' ' ' HIS . 2.2 p -150.12 121.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.56 65.61 9.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.2 mm-40 -141.11 134.38 29.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.54 141.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.17 24.94 10.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.636 ' ND1' HG21 ' A' ' 43' ' ' VAL . 12.2 t-80 -103.61 72.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 149.81 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -138.69 -177.54 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -105.01 149.39 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.608 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 53' ' ' GLN . 95.3 t -135.96 163.15 35.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 52' ' ' VAL . 6.9 mm100 -126.48 115.31 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 p -127.37 164.05 38.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -29.92 7.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -72.64 -39.21 67.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.56 178.14 35.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 116.84 4.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p -136.91 98.15 10.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 141.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 21.3 m -102.75 161.99 13.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 108.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -141.22 116.0 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.4 135.06 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.57 -56.48 2.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -132.31 146.58 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.9 127.36 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.78 74.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tt0 -44.83 -50.13 26.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.03 54.42 3.65 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.37 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 177.64 -171.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.635 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.91 166.36 33.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 155.88 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 31.9 p90 -156.45 150.98 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 p -95.79 160.04 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -121.64 127.37 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -70.68 178.15 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 82.4 p 37.01 50.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 78' ' ' THR . 3.2 m-20 156.36 110.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.9 53.23 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.535 ' HE1' HD22 ' A' ' 111' ' ' LEU . 16.1 m0 -118.04 157.54 26.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.85 136.97 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.5 t -124.78 128.87 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -137.39 145.92 43.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -119.2 112.99 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.34 151.55 22.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 23' ' ' VAL . 5.7 mp -132.86 146.02 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 ttpt -141.0 115.76 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -72.57 122.34 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -109.8 -44.02 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 118.61 -170.46 13.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 49.97 30.93 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 m120 64.76 33.55 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLY . 11.4 mttp -128.44 150.51 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.619 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.7 m -149.11 142.78 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.4 tt0 -86.97 120.77 28.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -105.59 125.5 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.691 HG22 HD11 ' A' ' 100' ' ' ILE . 90.0 m -128.22 106.52 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.1 134.06 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.691 HD11 HG22 ' A' ' 98' ' ' THR . 4.4 mp -130.7 127.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.491 ' CE1' ' SD ' ' A' ' 125' ' ' MET . 5.2 t-80 -131.73 111.74 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.71 -163.92 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 -26.99 2.75 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.684 ' CE3' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -87.54 -176.9 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 6' ' ' THR . 25.0 mttt -139.05 -70.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -104.58 150.67 38.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.02 -16.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -49.98 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.56 145.18 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.1 mm -118.61 158.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.684 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -89.71 155.69 47.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -66.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -52.32 -67.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -51.13 -75.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 10.4 t30 81.03 64.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.62 157.22 19.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -51.74 117.15 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -50.49 -26.73 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 p -77.78 -48.19 17.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -55.22 -45.25 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.476 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.5 mm -67.33 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.03 -50.91 60.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.66 -49.0 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.88 -52.83 59.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -71.13 -35.08 71.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.598 ' O ' HG23 ' A' ' 130' ' ' VAL . 12.4 t -62.12 -53.39 56.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.13 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.8 8.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.697 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.2 m95 -74.07 -39.37 63.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 126' ' ' SER . 27.4 t -60.42 -55.15 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -60.62 -52.26 65.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.0 mt -55.38 -36.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 129' ' ' TRP . 4.8 t -67.72 -33.39 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -116.37 41.16 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.9 mm-40 -141.64 -52.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.1 mtmm -108.68 -62.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.639 HD23 ' CZ2' ' A' ' 36' ' ' TRP . 3.3 tm? -36.49 -59.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 45.4 tttm -54.56 -56.65 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -50.71 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.558 HG11 HG13 ' A' ' 26' ' ' VAL . 86.3 t -52.88 -55.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 18' ' ' ALA . 2.0 t -58.84 -57.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -49.43 -46.08 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 104' ' ' TRP . 23.1 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.86 145.98 46.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 m-20 -79.92 113.63 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.8 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' ASP . 10.9 ttmt -104.41 132.61 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.27 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -84.71 119.57 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 HD13 ' CE1' ' A' ' 16' ' ' PHE . 14.5 tt -147.56 153.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 96' ' ' GLU . 93.0 t -114.06 118.76 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CE1' HD13 ' A' ' 14' ' ' ILE . 28.8 m-85 -105.45 164.33 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -91.24 71.66 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.5 -179.35 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -105.11 159.14 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.6 tt -55.35 -30.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -70.14 -44.74 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -70.13 -51.99 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG12 HD21 ' A' ' 87' ' ' LEU . 49.5 t -54.48 -35.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.7 t-105 -68.84 -43.64 75.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 t -53.85 -30.65 46.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG13 HG11 ' A' ' 140' ' ' VAL . 69.7 t -76.13 -19.96 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 24' ' ' TRP . 27.5 m -124.4 51.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 p -169.88 31.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -140.91 -178.13 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.1 -41.49 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -41.8 26.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.66 -48.95 82.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.22 -47.6 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.27 -20.43 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.49 2.33 22.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.576 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 29.2 p-90 -173.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 108.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.1 t80 179.56 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.59 158.74 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.8 5.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.677 ' CB ' HG12 ' A' ' 52' ' ' VAL . 2.9 p30 -162.68 172.66 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.63 72.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -43.01 148.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.73 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -138.92 114.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 tp -80.97 74.43 7.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' C ' HD11 ' A' ' 66' ' ' ILE . 3.8 mt-10 -143.99 144.58 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.44 130.57 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.6 70.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.73 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.5 t60 -91.64 126.9 36.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.9 148.5 36.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.3 p90 -140.32 -172.41 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 57.4 m80 -135.57 138.01 42.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.677 HG12 ' CB ' ' A' ' 40' ' ' ASN . 3.4 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.454 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HB3' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.05 166.73 28.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 81.0 m -139.08 169.25 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -145.11 114.71 7.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.04 140.72 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.2 mt -105.47 -55.32 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.05 150.26 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' C ' ' A' ' 45' ' ' GLU . 69.6 mt -129.57 123.81 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -157.1 77.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.08 -51.39 23.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.77 -73.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.46 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -148.75 167.16 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.7 148.85 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 42.0 p90 -156.87 145.09 19.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -91.13 166.14 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -119.92 113.55 20.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.021 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.08 178.6 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m 40.32 38.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 111' ' ' LEU . 30.8 m-20 -167.88 -61.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.51 55.68 1.32 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 18.1 m0 -136.23 169.55 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.58 134.5 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 101' ' ' HIS . 79.8 t -129.99 116.34 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.0 130.02 52.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 13.7 m-85 -107.77 112.44 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.513 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -87.56 154.93 20.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 HG12 ' A' ' 23' ' ' VAL . 5.7 mp -139.32 139.34 37.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -132.0 126.39 33.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.14 108.03 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.31 -45.33 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.38 -170.08 14.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.04 27.83 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 0.81 . . . . 0.0 109.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 69.2 31.73 3.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mttp -128.23 151.58 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.2 m -150.17 145.13 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.5 tt0 -90.18 124.37 34.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.26 128.86 54.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.413 ' CG2' ' HE2' ' A' ' 11' ' ' LYS . 71.1 m -132.05 105.96 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -88.77 117.35 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -114.19 114.69 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.7 t-160 -132.65 113.36 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.88 -138.87 6.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.42 -52.69 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 118' ' ' SER . 0.0 OUTLIER -100.15 170.59 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -70.62 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m170 -90.72 140.86 26.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -75.02 93.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.23 -45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.665 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -50.7 161.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 109' ' ' GLU . 4.6 mm -138.84 142.64 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 79' ' ' ASP . 1.1 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.8 mttt -50.74 125.44 13.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 5.0 p -56.41 -33.7 66.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -68.19 -26.69 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.52 -49.98 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.913 HD11 ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -63.68 -37.11 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -55.21 -46.83 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -73.03 -46.85 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.59 -52.37 63.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 1.5 tpt -67.89 -45.02 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 130' ' ' VAL . 15.7 t -55.14 -52.77 62.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.03 -62.72 5.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 132' ' ' ILE . . . -54.83 -33.09 55.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.766 ' O ' HG23 ' A' ' 133' ' ' VAL . 9.9 m95 -71.74 -42.11 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 126' ' ' SER . 43.7 t -56.82 -51.31 69.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.09 -52.41 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 128' ' ' GLY . 10.9 mt -54.54 -40.64 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 129' ' ' TRP . 46.2 t -66.5 -28.91 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -120.24 40.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.54 -76.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 140' ' ' VAL . 1.7 mttp -83.27 -59.24 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 140' ' ' VAL . 31.4 tp -39.76 -60.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -48.59 -42.59 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -69.86 -29.25 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.754 HG11 HG13 ' A' ' 26' ' ' VAL . 99.5 t -71.35 -54.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.6 t -63.54 -54.03 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -51.05 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 2.6 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -42.13 154.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.3 m-20 -90.16 126.26 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.705 HG22 ' OE1' ' A' ' 12' ' ' GLN . 79.8 mt -60.24 85.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -92.43 132.69 36.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.705 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.7 mp0 -133.22 79.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 98' ' ' THR . 95.9 m -78.54 123.38 27.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.47 HG23 ' CE2' ' A' ' 16' ' ' PHE . 17.2 tt -147.53 152.81 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' A' ' 96' ' ' GLU . 72.7 t -113.0 126.4 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE2' HG23 ' A' ' 14' ' ' ILE . 63.3 m-85 -113.35 164.67 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.0 63.08 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.55 -178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -106.33 153.29 22.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.009 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.25 -33.28 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -71.93 -35.74 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -74.79 -55.77 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG12 HD21 ' A' ' 87' ' ' LEU . 77.7 t -53.65 -38.36 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 17.9 t-105 -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -32.23 60.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 137' ' ' LEU . 76.5 t -72.66 -12.5 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 47.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -172.46 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -145.86 174.8 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.04 -45.63 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -39.49 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.34 -53.26 44.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.42 -46.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.01 -20.13 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 t -75.18 -3.57 33.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.67 ' CH2' HD22 ' A' ' 137' ' ' LEU . 11.3 p-90 -171.84 65.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' MET . 2.4 t80 178.04 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 163.16 158.99 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.6 8.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 52' ' ' VAL . 2.9 p30 -163.18 -170.11 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.95 59.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 86.4 t80 -37.5 141.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -134.44 125.72 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.64 69.27 9.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -143.44 129.52 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.71 140.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.03 30.41 7.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.531 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.9 t60 -106.93 67.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 153.23 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -144.13 -173.55 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.44 144.16 41.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.516 HG22 ' CB ' ' A' ' 40' ' ' ASN . 55.3 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.95 42.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 63.0 m -125.73 160.12 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -139.33 116.65 11.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.41 143.91 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.82 -56.59 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.2 mt -124.43 128.41 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.58 75.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.95 -50.63 25.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.58 -74.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -177.84 -164.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.39 167.01 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.47 151.22 50.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 14.3 p90 -156.85 142.56 17.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.429 ' HA ' HG22 ' A' ' 82' ' ' VAL . 35.3 p -88.68 164.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -125.1 122.3 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -76.85 -177.46 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ASP . 25.7 p 38.78 32.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -158.31 -69.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.02 -22.61 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -66.69 166.87 12.17 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -129.62 134.82 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.2 t -119.05 119.03 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 m -134.28 143.01 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -110.2 171.71 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.46 153.66 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.459 HD21 HG12 ' A' ' 23' ' ' VAL . 4.7 mp -139.17 137.8 36.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -131.05 120.41 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.87 109.66 8.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.83 -39.2 7.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.34 -168.24 12.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 49.2 33.76 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 60.29 33.36 20.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.4 mtmm -124.71 159.66 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -156.3 147.32 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.8 tt0 -91.58 115.03 27.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -100.88 125.89 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 100' ' ' ILE . 69.3 m -132.57 109.13 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.91 127.76 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 98' ' ' THR . 4.1 mp -123.4 118.75 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -128.15 121.34 29.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.585 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.31 -162.59 9.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.8 -37.68 1.33 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 5.3 m95 -53.46 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -133.69 -49.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.1 m170 -143.43 137.4 14.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.03 93.67 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.95 -35.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.53 140.04 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.3 mm -96.93 130.24 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.4 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.59 ' HB2' HD12 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -53.41 120.76 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.542 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 62.8 m -51.11 -57.77 7.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.7 p -45.74 -40.91 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.8 mt -66.37 -46.24 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.4 -47.83 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 10' ' ' ILE . 4.4 ttp180 -51.37 -46.57 62.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -64.66 -52.18 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -54.48 -52.0 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.62 66.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.2 t -52.43 -50.06 63.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -58.82 9.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.94 -36.22 93.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.457 ' HA ' ' CE3' ' A' ' 129' ' ' TRP . 2.3 m95 -63.84 -39.75 94.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -66.27 -36.49 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -75.09 -51.26 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 136' ' ' LYS . 87.7 mt -55.22 -43.13 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.01 -31.05 51.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.448 ' OD1' ' CD1' ' A' ' 14' ' ' ILE . 9.2 m-80 -113.43 36.52 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.4 mm-40 -141.89 -74.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 140' ' ' VAL . 2.4 mttp -80.6 -65.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.67 HD22 ' CH2' ' A' ' 36' ' ' TRP . 8.9 tp -38.78 -54.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -49.4 -48.47 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.6 -29.09 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 136' ' ' LYS . 62.4 t -69.04 -55.16 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.503 ' CG2' HG21 ' A' ' 26' ' ' VAL . 1.4 t -66.36 -56.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.67 -31.83 66.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.685 HD11 ' OG ' ' A' ' 118' ' ' SER . 60.5 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.75 172.06 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -92.97 122.32 35.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 12' ' ' GLN . 35.9 mt -57.69 89.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -93.72 133.38 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.9 mp0 -130.6 88.24 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.6 m -88.2 119.48 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.646 HD12 ' OD1' ' A' ' 134' ' ' ASN . 1.9 tt -145.06 151.25 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' ILE . 52.2 t -105.61 141.18 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.11 156.63 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -89.77 67.06 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.76 178.22 8.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -97.42 156.9 16.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.512 HG23 ' NE2' ' A' ' 21' ' ' GLN . 3.7 tt -54.28 -38.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' NE2' HG23 ' A' ' 20' ' ' ILE . 25.0 mp0 -63.64 -32.18 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -47.85 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -63.31 -35.92 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 26.9 t-105 -61.33 -46.44 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 108.035 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -54.62 -31.56 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 140' ' ' VAL . 91.7 t -74.13 -9.18 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 34.7 m -135.41 47.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 91.5 p -169.04 35.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -147.9 175.74 10.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 110.452 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -97.09 -42.67 7.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -42.95 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.8 -47.81 83.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -71.33 -43.44 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -57.81 -20.67 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -75.74 -4.8 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 137' ' ' LEU . 23.6 p-90 -168.83 64.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' MET . 45.5 t80 -179.49 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 165.14 166.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -169.62 175.4 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -115.59 75.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 86.3 t80 -43.28 154.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.779 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.6 p -141.04 133.25 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.9 tp -103.98 69.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 25.7 mt-10 -146.52 130.41 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.16 136.64 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.65 18.36 51.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.779 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.3 t60 -103.71 97.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.06 151.0 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.623 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -129.44 -171.87 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.94 136.13 49.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 59' ' ' SER . 3.1 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.706 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.56 38.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 6.7 m -137.77 130.46 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -106.36 117.28 33.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 66' ' ' ILE . 48.5 t -59.49 129.17 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.6 mt -91.79 -55.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -136.65 150.3 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.72 HD11 HG11 ' A' ' 63' ' ' VAL . 67.8 mt -133.09 114.92 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.1 m-20 -146.59 79.05 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.2 -51.08 26.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.243 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.5 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 167.62 -72.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.78 -178.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.36 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 150.88 52.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 48.5 p90 -155.8 148.1 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -96.32 159.9 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -116.45 115.04 25.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.96 -178.46 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.3 p 42.95 28.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CZ3' ' A' ' 81' ' ' TRP . 2.4 m-20 -165.46 -54.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 20.21 39.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.507 ' CZ3' ' OD2' ' A' ' 79' ' ' ASP . 17.4 m0 -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.7 134.84 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 101' ' ' HIS . 84.4 t -136.21 135.94 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -144.95 132.55 20.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.88 112.64 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.7 157.28 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 23' ' ' VAL . 4.1 mp -141.77 133.53 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -131.4 125.31 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -84.4 110.76 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.42 -46.29 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 122.38 -169.02 14.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 53.96 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.65 27.44 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -118.42 159.21 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -149.61 141.57 23.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.56 107.29 19.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 137' ' ' LEU . 65.9 t80 -92.75 124.67 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.816 HG22 HD11 ' A' ' 100' ' ' ILE . 52.5 m -130.36 106.75 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 131.09 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 98' ' ' THR . 3.3 mp -126.44 126.1 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.487 ' HB2' HG22 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -133.01 107.22 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.64 -166.1 13.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.03 -32.26 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.655 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 2.2 m95 -82.87 154.67 24.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -73.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -100.01 145.95 31.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HA ' ' OG ' ' A' ' 118' ' ' SER . 18.1 Cg_endo -75.01 -29.03 8.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -54.44 10.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 3.8 pt-20 -50.14 155.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 15.3 mm -128.69 142.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.453 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.3 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.2 mttt -51.03 117.65 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.685 ' OG ' HD11 ' A' ' 7' ' ' LEU . 65.2 p -55.72 -43.18 76.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -45.09 83.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 117' ' ' LYS . 67.6 mt -63.64 -46.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.655 HG21 ' CZ2' ' A' ' 104' ' ' TRP . 18.1 mm -61.88 -47.0 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.2 ttp180 -50.76 -45.74 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -47.93 46.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -52.23 63.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -29.87 67.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 16.5 t -71.64 -52.82 16.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.93 -48.56 51.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.07 88.64 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.75 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.3 m95 -59.93 -44.51 94.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.491 HG23 HE21 ' A' ' 12' ' ' GLN . 2.9 t -56.14 -54.74 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -62.31 -52.58 63.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 62.0 mt -54.07 -35.32 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 129' ' ' TRP . 20.8 t -69.82 -33.98 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.646 ' OD1' HD12 ' A' ' 14' ' ' ILE . 10.5 m-80 -115.71 43.72 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.2 mm-40 -143.67 -63.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mttm -95.89 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.56 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 5.9 tp -38.45 -48.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -59.02 -53.98 52.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 26' ' ' VAL . 69.3 t -69.0 -55.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.533 HG23 HG21 ' A' ' 26' ' ' VAL . 1.5 t -64.11 -55.18 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.86 -39.37 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -118.41 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.7 m-20 -116.18 105.99 13.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -42.75 98.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -101.24 137.3 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.51 85.33 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 m -87.35 119.74 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.692 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -150.56 151.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.72 126.33 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 41.9 m-85 -114.52 156.56 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.73 76.52 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -165.35 176.43 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -100.34 158.77 15.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.2 tt -57.36 -33.65 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -68.83 -37.67 79.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -70.61 -55.17 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.635 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -54.74 -35.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 41.9 t-105 -62.74 -45.17 93.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -58.51 -31.48 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 HG11 ' A' ' 140' ' ' VAL . 73.9 t -76.64 -15.51 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.7 m -128.96 47.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 29' ' ' THR . 92.5 p -167.27 31.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 28' ' ' SER . 2.6 p -153.26 160.17 42.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -78.96 -48.18 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.91 49.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.86 -49.71 57.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 29' ' ' THR . 55.0 mt -63.63 -43.6 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.48 46.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -78.79 0.1 28.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.564 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 27.4 p-90 -176.07 63.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' MET . 66.1 t80 -179.16 -64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 162.28 167.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -159.15 -176.27 5.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -110.84 -19.46 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 53.3 t80 51.96 173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.902 HG21 ' CD2' ' A' ' 48' ' ' HIS . 3.9 p -167.93 128.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -95.26 74.67 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 35.2 mt-10 -149.47 150.45 32.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 66' ' ' ILE . 42.6 t -77.11 134.01 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.65 24.38 52.85 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.902 ' CD2' HG21 ' A' ' 43' ' ' VAL . 3.8 t60 -99.86 107.78 19.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.584 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -89.67 141.61 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -125.86 -174.54 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.7 139.42 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 40' ' ' ASN . 18.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.13 7.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 1.7 m -143.59 153.75 42.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 122.62 18.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.42 HG11 ' CG1' ' A' ' 66' ' ' ILE . 96.0 t -65.75 147.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -108.95 -55.11 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -131.65 144.08 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.453 HD12 HG23 ' A' ' 46' ' ' VAL . 73.0 mt -125.26 127.75 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.4 m-20 -160.63 76.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.9 tt0 -44.74 -51.17 22.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 53.91 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 -71.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 177.11 -172.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.51 158.66 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 154.0 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 22.7 p90 -154.8 158.48 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -107.21 168.26 9.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -120.78 119.3 32.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.001 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.4 174.17 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m 39.71 36.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -160.36 -76.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.59 38.27 1.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -118.01 143.2 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.34 131.13 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 65.6 t -126.56 129.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 132.58 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 83' ' ' VAL . 9.9 m-85 -111.9 112.67 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -83.15 156.95 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 23' ' ' VAL . 5.6 mp -139.93 138.34 35.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.634 ' HD2' HD21 ' A' ' 90' ' ' LEU . 1.6 ttmm -134.2 131.65 38.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.12 116.61 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.634 HD21 ' HD2' ' A' ' 88' ' ' LYS . 31.9 mt -104.23 -45.44 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.13 -170.33 13.22 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.62 27.89 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 68.27 30.11 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 91' ' ' GLY . 25.7 mttm -122.97 152.16 41.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.69 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.5 m -149.37 140.13 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.466 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -83.5 120.14 25.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -105.54 120.9 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -125.47 109.79 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 tt -89.48 115.84 27.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.75 114.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.1 t-160 -124.46 113.54 18.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.74 -155.59 7.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.99 -24.78 5.64 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 6.0 m95 -75.81 -171.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -144.43 -92.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.67 144.41 30.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.641 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.22 21.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -83.18 -60.81 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 110' ' ' ILE . 10.6 pt-20 -49.98 164.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 109' ' ' GLU . 7.6 mm -131.54 141.55 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 19.6 mttt -52.09 124.23 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 2.5 t -54.53 -46.72 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.459 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 30.6 p -43.34 -35.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.21 -40.49 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.483 HG21 ' CH2' ' A' ' 104' ' ' TRP . 42.8 mm -64.99 -50.12 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.459 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -64.28 -25.41 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -49.52 25.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -45.91 75.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -44.83 95.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 130' ' ' VAL . 45.5 t -63.35 -51.26 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -48.93 -40.96 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.69 -42.28 11.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 133' ' ' VAL . 3.9 m95 -57.23 -40.3 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 126' ' ' SER . 68.5 t -59.76 -46.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -69.72 -52.11 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.71 -38.52 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.6 t -68.34 -29.77 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -116.7 37.22 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.6 mm-40 -141.05 -69.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.996 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.6 mtmm -87.12 -57.12 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 137' ' ' LEU . 1.2 tm? -38.93 -58.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -56.83 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -52.24 -35.98 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 136' ' ' LYS . 21.7 t -66.19 -55.38 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.52 HG13 ' HZ1' ' A' ' 22' ' ' LYS . 2.1 t -62.67 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.1 -28.25 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 107' ' ' PRO . 9.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -54.47 160.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.57 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.0 mt -83.62 94.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.8 148.15 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -148.99 83.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 98' ' ' THR . 47.2 m -82.4 121.21 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.5 tt -143.14 153.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.73 122.72 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 138' ' ' LYS . 12.6 m-85 -110.9 163.13 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -92.94 70.08 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.24 -178.48 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -104.79 151.4 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.7 tt -47.96 -36.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -68.47 -41.96 79.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -57.52 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -53.68 -40.51 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 27' ' ' VAL . 34.5 t-105 -62.88 -44.37 96.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -32.43 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -76.75 -14.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' TRP . 5.7 m -128.76 45.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.9 p -165.85 30.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 p -140.65 -178.85 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -43.88 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -45.55 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.17 -43.85 63.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.07 -55.0 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.31 -20.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -15.28 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HD23 ' A' ' 137' ' ' LEU . 9.0 p-90 -143.87 -63.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' A' ' 38' ' ' MET . 46.2 t80 -46.97 -87.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.414 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -174.3 167.22 2.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.83 9.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.819 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -163.35 171.05 16.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -99.43 46.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASP . 89.8 t80 -34.44 136.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.33 136.36 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.49 67.37 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -144.31 136.85 26.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.49 139.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.61 31.74 9.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 t60 -102.44 69.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.14 145.75 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.3 p90 -138.57 -174.52 3.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.18 145.99 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 40' ' ' ASN . 84.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.524 ' HG ' ' HG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.27 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 9.0 m -116.02 155.11 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -134.8 113.78 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 66' ' ' ILE . 48.5 t -61.39 138.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.42 -54.15 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.21 147.46 52.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 63' ' ' VAL . 73.8 mt -131.12 125.71 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -157.1 78.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.98 -50.98 24.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.4 3.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.7 -73.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.77 -173.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.58 162.79 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.26 154.61 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 47.1 p90 -155.52 153.19 29.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.8 p -93.31 168.94 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -130.02 113.13 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASP . 2.0 m-20 -69.58 -176.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.524 ' HG1' ' HG ' ' A' ' 59' ' ' SER . 70.6 p 37.6 33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.0 m-20 -166.09 -71.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 110.19 -3.17 29.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 21.3 m0 -77.82 146.24 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 75' ' ' SER . 7.0 t -116.29 135.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 64.0 t -124.02 128.56 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 p -136.85 138.56 40.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' A' ' 83' ' ' VAL . 10.9 m-85 -115.19 112.69 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.64 153.15 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.88 136.18 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 95' ' ' THR . 1.7 ttpt -134.85 127.39 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -79.94 119.27 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.8 mt -108.71 -35.85 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 105.74 -169.37 15.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 47.87 35.12 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 60.17 36.69 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mtmt -130.74 147.32 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 88' ' ' LYS . 6.5 m -148.16 144.01 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.19 120.18 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -109.24 117.41 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.606 HG23 ' OG1' ' A' ' 13' ' ' THR . 16.7 m -124.15 109.28 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -91.26 130.9 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.92 120.39 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.507 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -121.64 116.29 24.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.5 -155.42 6.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.91 -23.36 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.754 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 33.6 m95 -64.24 -178.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -132.85 -61.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 147.18 43.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.489 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -32.89 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.0 149.02 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 116' ' ' ALA . 19.6 mm -108.92 154.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.754 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -50.73 128.65 21.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.561 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 11.3 m -64.5 -39.81 94.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 p -54.33 -43.54 71.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.01 -46.5 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.501 HG21 ' CZ2' ' A' ' 81' ' ' TRP . 5.3 mm -68.98 -39.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.0 mtp180 -54.59 -47.37 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -72.15 -48.76 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -50.91 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.4 tpt -69.86 -34.83 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 130' ' ' VAL . 2.9 t -58.77 -53.83 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.32 -57.02 16.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.68 -40.42 48.27 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.656 ' O ' HG23 ' A' ' 133' ' ' VAL . 17.7 m95 -67.91 -42.29 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 126' ' ' SER . 69.1 t -58.0 -47.01 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -70.48 -52.7 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.65 -34.73 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 129' ' ' TRP . 12.2 t -70.67 -33.38 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -116.78 41.73 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.8 mm-40 -142.04 -57.08 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 140' ' ' VAL . 21.7 mtmt -108.01 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.7 tm? -35.96 -64.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' ' CE1' ' A' ' 16' ' ' PHE . 7.6 tttt -51.01 -49.34 60.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.38 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 136' ' ' LYS . 36.4 t -59.53 -55.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -62.24 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.475 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.9 OUTLIER -51.92 -44.58 63.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.938 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.616 HD22 ' HD3' ' A' ' 122' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.73 169.12 6.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.87 145.98 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' ILE . 9.1 mt -76.43 84.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -85.29 136.74 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -133.4 79.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.526 ' OG1' HG23 ' A' ' 98' ' ' THR . 89.7 m -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 tt -150.77 151.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.54 121.49 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -107.94 156.37 19.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -86.12 76.43 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -167.11 174.62 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.7 m -99.23 160.91 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.4 tt -55.64 -43.34 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -65.01 -32.41 74.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.1 ttpp -75.55 -55.15 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.04 -35.36 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.1 t-105 -65.55 -44.68 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -30.83 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' CG1' ' A' ' 140' ' ' VAL . 49.3 t -76.64 -15.22 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 27' ' ' VAL . 3.3 m -131.34 52.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 p -166.39 30.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -141.69 163.79 31.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.53 -51.68 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -39.51 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.79 -42.43 68.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.48 -53.23 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.07 -20.31 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -50.59 -26.53 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.7 p-90 -132.9 -65.74 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' TRP . 42.0 t80 -34.7 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -175.49 168.75 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.855 ' HB2' HG12 ' A' ' 52' ' ' VAL . 4.4 p30 -157.95 -163.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.42 69.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 21.0 t80 -48.0 163.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.86 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -158.07 121.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -86.22 76.1 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.9 mt-10 -149.92 134.74 17.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 t -73.83 128.2 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 9.0 87.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.86 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.1 t60 -91.41 127.44 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 62' ' ' LYS . 12.9 mt-10 -106.31 169.36 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 11.2 p90 -168.73 -176.71 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 33.9 t-80 -118.42 144.05 46.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' A' ' 40' ' ' ASN . 8.8 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.828 ' O ' HG22 ' A' ' 52' ' ' VAL . 49.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.95 -174.43 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 1.7 m -148.52 161.38 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -143.62 123.08 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 66' ' ' ILE . 84.3 t -70.68 135.77 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.03 -52.57 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.4 146.57 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HG11 ' A' ' 63' ' ' VAL . 73.0 mt -130.94 114.96 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -146.13 83.79 1.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -48.5 -50.86 56.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.01 54.29 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 168.2 -73.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.94 -177.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -143.5 168.22 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.24 151.59 39.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 25.6 p90 -156.18 145.67 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.9 p -97.18 160.16 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.542 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -111.31 120.94 43.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.42 177.79 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m 38.3 34.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.45 -61.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.03 42.19 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -126.85 143.91 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.25 141.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 101' ' ' HIS . 58.8 t -137.29 133.45 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.1 p -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.765 ' CE1' HD12 ' A' ' 99' ' ' LEU . 2.4 m-85 -125.66 116.27 21.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.29 151.2 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mp -127.67 140.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 95' ' ' THR . 3.0 ttpt -133.58 124.9 27.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.7 101.67 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.61 -48.01 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.41 -169.55 12.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 50.4 29.9 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.5 32.82 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' GLY . 26.0 mttt -128.95 155.57 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.3 m -153.74 141.44 19.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.3 115.19 21.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.58 126.99 48.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 13' ' ' THR . 17.7 m -132.05 110.41 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -96.63 121.76 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.27 122.25 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.62 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.5 t-160 -131.92 111.54 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.41 -144.41 4.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.59 -39.06 2.2 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 8.4 m95 -52.89 176.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -136.1 146.0 54.65 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.99 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.37 -24.14 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.67 150.82 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 117' ' ' LYS . 27.5 mm -108.0 158.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 110' ' ' ILE . 12.7 mttp -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.612 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 54.6 p -52.92 -33.56 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.3 p -60.91 -40.04 91.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 10.7 mt -62.25 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.33 -45.23 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.616 ' HD3' HD22 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -55.63 -44.71 77.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.76 -53.14 44.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.35 -48.44 71.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 3.4 mmt -69.81 -47.83 61.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 41.4 t -52.11 -51.82 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.44 -62.29 6.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -53.83 -23.13 21.18 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.459 ' CD1' ' O ' ' A' ' 125' ' ' MET . 9.1 m95 -77.98 -46.06 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t -54.48 -34.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.9 -51.49 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.8 mt -54.84 -43.75 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.77 -28.6 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -116.59 36.74 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.3 mm-40 -141.57 -81.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.986 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.9 mttp -79.47 -56.37 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -37.74 -41.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 16.1 tttm -68.39 -55.74 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -26.71 57.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 136' ' ' LYS . 16.0 t -72.51 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.09 -56.26 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.08 -38.05 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 107' ' ' PRO . 24.5 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.35 168.3 18.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 100' ' ' ILE . 41.8 m-20 -92.65 133.18 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 122' ' ' ARG . 13.7 mt -62.36 84.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' ASP . 33.1 ttmt -89.36 138.26 31.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -137.5 90.93 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -85.04 119.0 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -146.91 153.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -109.52 127.6 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -109.66 143.88 38.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -78.95 62.36 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.17 -171.75 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -111.17 153.13 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -49.47 -48.97 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -56.21 -33.51 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -77.21 -57.44 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.671 HG12 HD21 ' A' ' 87' ' ' LEU . 31.8 t -53.49 -36.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 29.0 t-105 -61.75 -48.13 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -54.81 -30.92 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG11 ' CD1' ' A' ' 137' ' ' LEU . 24.2 t -74.69 -11.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 23' ' ' VAL . 14.7 m -134.56 46.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -163.57 29.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.8 p -144.59 174.13 11.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.28 -47.12 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -49.59 58.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -53.12 35.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' THR . 26.4 mt -63.48 -47.52 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.733 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.47 27.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -1.72 29.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.576 ' CH2' HD22 ' A' ' 137' ' ' LEU . 25.2 p-90 -172.21 63.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.026 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' MET . 64.0 t80 -178.69 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.22 165.86 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 121.3 6.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.496 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.92 169.37 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -109.64 68.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -47.12 148.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.815 HG21 ' CG ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -132.31 142.92 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.72 75.99 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.73 131.91 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.67 130.41 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.5 2.23 87.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.815 ' CG ' HG21 ' A' ' 43' ' ' VAL . 1.6 t60 -82.55 124.64 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.45 166.46 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 9.3 p90 -167.51 -178.02 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.93 159.75 35.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 59' ' ' SER . 2.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.384 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 52' ' ' VAL . 3.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.36 18.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 12.9 m -141.52 157.94 44.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -133.13 124.96 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 66' ' ' ILE . 42.3 t -63.83 141.55 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.44 -56.89 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -140.69 149.26 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 63' ' ' VAL . 61.9 mt -128.69 124.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -157.02 77.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -45.74 -50.73 32.45 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.04 54.18 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.38 -73.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.54 -172.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.83 166.09 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.95 151.89 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 p90 -157.2 145.27 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.6 p -93.18 170.27 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.2 t90 -123.78 120.13 31.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -80.47 -179.63 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 39.64 32.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -162.78 -61.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.66 35.22 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' TRP . 22.1 m0 -111.74 161.47 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.37 140.54 48.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 99.1 t -134.47 126.6 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -140.06 134.2 31.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.711 ' CE1' HD12 ' A' ' 99' ' ' LEU . 6.6 m-85 -114.74 114.62 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.667 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -84.33 153.37 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 HG12 ' A' ' 23' ' ' VAL . 7.2 mp -136.43 139.93 42.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -136.21 122.38 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.83 106.85 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.22 -46.41 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.19 -171.98 16.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 48.18 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 36.07 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.2 mtmt -133.14 149.02 52.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -147.54 145.72 29.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.67 120.05 32.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.57 133.78 50.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 100' ' ' ILE . 20.3 m -131.64 105.71 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.711 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -89.22 115.7 26.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 98' ' ' THR . 2.8 mp -118.29 121.72 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -128.74 109.65 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.86 -159.41 9.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.2 -35.36 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 111' ' ' LEU . 4.1 m95 -67.24 -169.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.86 -79.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -102.89 147.6 34.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.575 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.99 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.16 -48.21 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.33 152.25 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -125.67 149.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.8 mttt -51.43 118.26 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.536 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -60.03 -23.79 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 90.8 p -75.95 -35.61 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 117' ' ' LYS . 97.4 mt -76.03 -42.49 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.496 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.4 mm -60.84 -40.57 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.657 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.13 -49.25 78.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.73 -45.95 80.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -51.67 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.404 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -67.36 -44.19 79.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 37.1 t -63.18 -52.17 63.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.77 -52.98 23.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.25 75.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.582 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.5 m95 -78.33 -39.08 40.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.63 -43.05 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.49 -51.78 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.76 -40.05 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 129' ' ' TRP . 26.7 t -66.83 -32.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -114.64 40.0 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.3 mm-40 -141.41 -73.25 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mtmm -81.01 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.642 ' CD1' HG11 ' A' ' 26' ' ' VAL . 10.6 tp -39.32 -52.7 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.66 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.5 t -66.42 -55.27 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.11 -57.18 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.96 -39.11 73.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 107' ' ' PRO . 24.5 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -139.41 -170.58 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -102.07 114.48 28.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 122' ' ' ARG . 9.1 mt -48.38 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASP . 31.1 ttmt -96.13 145.81 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.614 ' OE1' HG22 ' A' ' 130' ' ' VAL . 32.4 mt-30 -147.65 92.76 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.421 ' CG2' ' OE2' ' A' ' 96' ' ' GLU . 28.2 m -88.02 124.6 33.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.38 154.78 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.27 123.8 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' HB3' HG11 ' A' ' 141' ' ' VAL . 27.8 m-85 -107.22 152.37 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.39 71.87 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.82 -173.68 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -110.01 158.92 17.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 3.2 tt -53.1 -39.77 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -58.79 -43.87 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -52.23 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 27' ' ' VAL . 57.8 t -56.49 -35.78 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HA ' HG22 ' A' ' 27' ' ' VAL . 37.1 t-105 -68.45 -50.39 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -34.3 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 137' ' ' LEU . 18.8 t -75.02 -22.49 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG22 ' HA ' ' A' ' 24' ' ' TRP . 8.1 m -120.35 45.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -165.6 31.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.2 p -142.18 -176.23 4.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -108.45 -35.35 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -42.67 20.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.73 -53.27 35.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 60.5 mt -60.51 -46.54 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -55.57 -20.43 13.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 8.36 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.644 ' CH2' HD22 ' A' ' 137' ' ' LEU . 9.8 p-90 -172.67 54.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -178.28 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 167.56 164.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.32 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 6.9 p30 -158.4 175.38 13.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.32 62.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 72.5 t80 -37.72 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.0 123.89 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -90.22 80.8 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -154.23 131.64 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HD12 ' A' ' 66' ' ' ILE . 40.9 t -68.64 130.26 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.39 89.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.0 151.89 23.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.64 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.93 170.28 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.1 p90 -144.99 147.58 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.57 135.64 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.578 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 59' ' ' SER . 2.6 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 21.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 54.5 m -106.07 147.41 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -124.42 127.55 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 66' ' ' ILE . 32.8 t -65.26 124.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.18 -56.18 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -133.89 147.6 51.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.544 HD11 HG11 ' A' ' 63' ' ' VAL . 72.9 mt -126.88 127.88 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -161.25 77.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.61 -51.25 29.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.05 54.43 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.43 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.24 -172.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.55 170.54 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.82 157.2 44.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 20.9 p90 -156.99 153.16 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' CYS . 33.4 p -105.02 162.87 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -117.96 114.15 22.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -72.81 175.27 6.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 78' ' ' THR . 1.0 OUTLIER 41.43 32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -157.38 -71.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.88 29.77 4.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -107.76 146.35 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.83 129.89 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 47.9 t -130.25 137.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -147.28 142.26 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.58 113.34 24.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.89 151.83 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.3 mp -129.38 142.22 50.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -135.72 125.89 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.32 103.61 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 96' ' ' GLU . 51.5 mt -92.7 -40.33 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 102.96 -171.26 20.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 49.21 34.96 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.77 34.23 14.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mtmm -131.77 145.95 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.88 145.02 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -91.13 117.62 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -104.46 127.18 52.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 HD11 ' A' ' 100' ' ' ILE . 23.8 m -130.7 108.56 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.38 131.6 36.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.523 HD11 HG22 ' A' ' 98' ' ' THR . 3.4 mp -128.08 126.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.21 106.92 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.28 -168.29 13.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.45 -9.6 5.3 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.817 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.8 m95 -103.98 178.56 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -140.79 -78.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m80 -100.29 141.97 23.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.612 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 -20.7 16.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -54.68 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.13 164.12 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 111' ' ' LEU . 3.9 mm -126.83 163.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.817 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -50.59 120.05 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.551 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.3 m -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.0 p -42.86 -41.69 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.56 -39.37 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.562 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.6 mm -57.69 -49.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.9 ptm180 -66.42 -25.53 66.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 15.9 t0 -72.8 -51.95 16.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.99 -39.14 91.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -50.3 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 130' ' ' VAL . 27.5 t -54.48 -52.78 60.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.14 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.22 -36.65 93.49 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.1 m95 -61.27 -41.61 97.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.614 HG22 ' OE1' ' A' ' 12' ' ' GLN . 53.0 t -61.86 -52.11 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -62.63 -52.38 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.5 mt -55.0 -40.78 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -65.78 -29.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.99 41.26 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.5 mm-40 -142.44 -56.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 140' ' ' VAL . 20.3 mttm -101.56 -72.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.644 HD22 ' CH2' ' A' ' 36' ' ' TRP . 16.2 tp -37.35 -41.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 37.1 tttm -60.62 -55.09 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.94 -30.11 71.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 136' ' ' LYS . 71.6 t -63.46 -55.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.2 t -72.55 -41.56 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 4.9 tt0 -67.74 -21.3 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 104' ' ' TRP . 15.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -71.89 153.12 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 100' ' ' ILE . 4.3 m-20 -77.72 133.15 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.439 HD11 ' CB ' ' A' ' 122' ' ' ARG . 23.9 mt -60.63 84.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASP . 22.9 ttmt -88.83 130.62 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.879 ' OE1' HG22 ' A' ' 130' ' ' VAL . 13.9 mt-30 -130.72 82.78 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -81.35 123.88 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 tt -149.96 151.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.37 126.64 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -113.27 158.42 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -85.95 75.67 9.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -168.37 172.35 8.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -95.25 156.12 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.33 -35.81 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -64.02 -45.31 89.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -65.61 -56.21 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 27' ' ' VAL . 90.2 t -52.2 -45.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CZ3' HD22 ' A' ' 72' ' ' LEU . 27.2 t-105 -57.23 -46.74 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -31.64 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.617 HG13 HG11 ' A' ' 140' ' ' VAL . 74.0 t -77.45 -0.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 23' ' ' VAL . 31.5 m -144.65 40.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 97.8 p -160.7 35.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 p -149.96 176.77 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -46.36 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -39.7 28.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.54 -46.04 66.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 42' ' ' PHE . 61.9 mt -75.13 -46.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.56 -20.77 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -72.7 -4.63 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 17.4 p-90 -173.45 66.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -179.61 -70.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.5 mtm 171.16 165.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.93 178.13 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.09 72.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 78.0 t80 -40.22 146.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.643 HG21 ' CD2' ' A' ' 48' ' ' HIS . 1.2 p -135.56 128.2 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 44' ' ' LEU . 9.6 tp -95.66 66.03 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -141.58 136.02 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.23 137.41 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.25 25.61 54.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.643 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.9 t60 -110.38 86.74 2.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.586 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 152.13 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.4 p90 -130.16 -173.61 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.66 136.79 53.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG12 ' HB3' ' A' ' 40' ' ' ASN . 2.1 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -111.45 136.51 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 115.87 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 66' ' ' ILE . 87.6 t -61.99 130.02 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.47 -57.03 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.48 148.9 49.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.966 HD11 HG11 ' A' ' 63' ' ' VAL . 81.0 mt -137.45 113.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 5.8 m-20 -147.91 80.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.23 -51.15 26.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.06 54.57 3.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.01 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 177.25 -173.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -149.23 165.83 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 151.7 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 31.0 p90 -157.07 147.7 21.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 82' ' ' VAL . 41.9 p -92.56 159.38 15.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.71 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 108.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.51 -175.9 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 p 46.17 29.65 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.23 -72.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.19 2.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 m0 -107.35 166.77 10.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.8 t -135.65 137.11 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 52.2 t -133.78 128.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.8 t -136.2 133.43 37.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' HD13 ' A' ' 99' ' ' LEU . 53.3 m-85 -104.82 112.94 26.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.26 154.51 25.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -142.9 129.47 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -125.95 135.04 51.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.52 109.54 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -97.53 -47.45 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.41 -170.13 14.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.85 24.77 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.253 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.93 30.8 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLY . 22.1 mttt -123.4 161.41 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -154.94 146.59 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.62 110.57 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -100.47 126.15 46.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.789 HG22 HD11 ' A' ' 100' ' ' ILE . 56.4 m -131.8 116.89 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.523 HD13 ' CE1' ' A' ' 85' ' ' PHE . 2.8 tp -97.63 123.68 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.789 HD11 HG22 ' A' ' 98' ' ' THR . 3.6 mp -123.82 124.69 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.5 t-160 -128.11 109.49 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.89 -171.88 15.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.32 -36.46 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 0.9 OUTLIER -78.69 -170.21 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -147.39 -76.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -106.73 134.37 19.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.555 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.97 -53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 141.22 55.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.506 HD11 ' HG2' ' A' ' 117' ' ' LYS . 10.7 mm -96.65 161.0 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.6 OUTLIER -54.13 129.95 36.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 6.3 m -50.51 -51.75 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 11.8 p -48.15 -35.67 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.6 mt -78.7 -29.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 116' ' ' ALA . 45.5 mm -75.29 -50.17 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.43 -25.29 67.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -50.78 19.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -42.33 84.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -66.73 -45.92 77.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 130' ' ' VAL . 25.8 t -59.09 -53.18 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.52 -58.75 7.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.58 -34.29 69.24 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.785 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.3 m95 -68.77 -45.26 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.879 HG22 ' OE1' ' A' ' 12' ' ' GLN . 75.4 t -54.97 -48.99 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.25 -52.26 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.45 -32.72 25.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 129' ' ' TRP . 44.7 t -74.33 -32.79 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -115.84 40.43 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 6.1 mm-40 -141.15 -68.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.6 mttp -91.48 -67.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 18.4 tp -39.01 -45.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -58.45 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.74 -29.77 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.3 t -64.51 -55.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.597 HG23 HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -71.96 -54.54 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.12 -40.2 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 104' ' ' TRP . 7.7 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -119.32 171.98 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.41 125.55 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 10' ' ' ILE . 41.0 mt -60.26 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -91.06 132.89 35.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -128.66 89.52 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.42 HG23 ' OE1' ' A' ' 96' ' ' GLU . 76.7 m -82.32 123.99 29.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 97' ' ' PHE . 19.3 tt -150.61 154.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.18 132.66 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' HB3' HG11 ' A' ' 141' ' ' VAL . 24.9 m-85 -120.41 149.79 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -80.15 67.86 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.45 177.81 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -103.67 157.57 16.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.778 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.9 tt -49.7 -44.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -58.21 -48.2 81.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.719 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -61.27 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 HD21 ' A' ' 87' ' ' LEU . 97.1 t -53.48 -35.65 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.7 t-105 -63.03 -48.82 77.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 t -54.5 -31.41 55.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 137' ' ' LEU . 3.6 t -73.92 -5.8 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.13 43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -162.61 29.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -138.98 161.58 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.57 -44.3 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -42.9 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.73 -52.08 48.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.13 -43.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.89 -20.54 37.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -4.85 46.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 16.9 p-90 -167.18 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' MET . 8.7 t80 -178.74 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 161.26 165.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.83 5.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.34 -178.63 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -121.26 78.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.43 163.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 48' ' ' HIS . 1.4 p -153.14 143.1 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -111.48 78.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -156.46 123.11 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.541 HG23 HD12 ' A' ' 66' ' ' ILE . 39.6 t -60.37 127.39 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.2 2.98 85.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.528 ' CG ' HG21 ' A' ' 43' ' ' VAL . 2.5 t60 -97.27 136.02 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.584 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.56 157.42 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.4 p90 -138.07 160.12 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.07 144.8 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.545 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.62 38.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 72.1 m -130.86 143.82 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -123.54 126.47 46.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.872 HG11 HD11 ' A' ' 66' ' ' ILE . 75.2 t -65.14 134.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 75' ' ' SER . 96.4 mt -99.99 -54.3 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -137.48 146.02 43.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.872 HD11 HG11 ' A' ' 63' ' ' VAL . 69.7 mt -131.36 130.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.8 m-20 -163.01 81.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.7 tt0 -47.4 -50.95 46.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.51 -73.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.58 -175.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 169.74 17.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.86 150.18 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 34.4 p90 -153.43 145.59 23.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 64' ' ' LEU . 82.2 p -92.23 164.17 13.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -122.08 120.39 34.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.053 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.7 -175.06 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p 38.22 41.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.18 -82.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.8 1.44 8.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -82.99 155.71 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.1 t -122.84 137.32 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.591 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 97.5 t -128.45 120.98 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -137.0 145.81 44.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CE1' ' CD1' ' A' ' 99' ' ' LEU . 45.6 m-85 -115.14 113.3 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.686 ' C ' HD12 ' A' ' 87' ' ' LEU . 16.4 m-20 -85.4 153.87 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 86' ' ' ASP . 6.3 mp -138.41 140.56 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -135.27 125.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.74 113.33 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.86 -45.76 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.6 -171.63 14.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.9 25.54 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.95 30.29 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.7 mtmm -123.11 153.75 39.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.778 HG21 ' HA ' ' A' ' 20' ' ' ILE . 90.5 m -148.01 141.43 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.42 ' OE1' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -87.58 113.64 23.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 137' ' ' LEU . 1.9 t80 -99.13 127.67 45.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.3 m -133.28 107.2 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.444 ' CD1' ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -90.08 122.54 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 mp -118.46 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -131.15 115.6 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.34 -170.6 14.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.77 -32.03 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.593 ' HB2' HD13 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -93.33 161.61 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -119.97 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.534 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 80.1 m80 -108.38 147.47 35.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' PRO . 11.5 t70 77.11 -56.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -58.8 128.73 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.5 mm -81.72 156.76 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.439 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.613 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.697 ' O ' HD12 ' A' ' 121' ' ' ILE . 3.2 mttp -52.2 126.56 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.581 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 34.1 m -61.42 -51.49 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 10.1 p -44.63 -27.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.66 -50.83 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 117' ' ' LYS . 2.3 mp -53.75 -50.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.82 -29.7 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -39.53 65.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -74.45 -48.68 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 129' ' ' TRP . 3.0 ttt -62.94 -43.46 98.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 31.3 t -56.61 -52.3 65.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.35 7.19 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.04 -35.36 83.5 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 125' ' ' MET . 2.5 m95 -63.83 -43.06 97.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.39 -53.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.52 -50.87 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.8 mt -54.31 -47.48 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.53 -29.43 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.05 35.87 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.96 -65.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' VAL . 50.3 mtmt -86.26 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 97' ' ' PHE . 26.0 tp -37.05 -46.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -54.15 -56.8 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.22 -30.26 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 136' ' ' LYS . 51.8 t -64.34 -55.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.719 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 1.8 t -65.66 -56.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.01 -32.06 63.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -109.96 169.38 8.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.07 121.88 37.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -56.88 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ASP . 8.2 ttmt -94.41 132.24 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -130.31 85.44 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.6 m -80.17 120.47 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 97' ' ' PHE . 18.0 tt -144.11 152.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' HG3' ' A' ' 96' ' ' GLU . 40.2 t -115.08 121.21 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' HG11 ' A' ' 141' ' ' VAL . 30.0 m-85 -106.71 157.06 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.4 66.19 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -155.12 176.75 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -96.12 160.27 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -54.67 -41.83 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.05 -35.74 81.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.2 ttpp -69.06 -56.38 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 HD21 ' A' ' 87' ' ' LEU . 74.5 t -58.93 -40.54 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 36.0 t-105 -57.52 -45.29 85.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -57.35 -30.72 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 ' CG1' ' A' ' 140' ' ' VAL . 93.1 t -79.13 0.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.8 m -147.61 47.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -164.6 29.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -144.84 -176.53 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -104.35 -34.11 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -40.75 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.59 -53.55 40.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -61.35 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -19.8 7.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.49 6.67 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 11.5 p-90 -175.25 60.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' O ' ' SD ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 176.67 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 168.48 160.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.11 11.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' PHE . 5.4 t0 -108.5 59.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 88.2 t80 -37.54 143.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 48' ' ' HIS . 3.4 p -132.54 131.95 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -96.62 73.76 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -145.3 147.67 32.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.09 134.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.44 29.38 30.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.7 t60 -98.51 112.81 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.568 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.1 154.26 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -147.65 -175.25 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.57 137.58 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.73 26.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 94.9 m -148.51 157.54 43.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -138.64 128.1 24.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 66' ' ' ILE . 54.5 t -64.67 142.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.68 -53.48 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -135.89 156.72 48.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 63' ' ' VAL . 66.8 mt -137.11 133.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.7 m-20 -166.26 76.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.6 tt0 -44.83 -50.64 24.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.29 3.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.28 -71.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.34 -171.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 161.41 42.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 157.15 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.477 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 17.3 p90 -156.98 142.26 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.8 p -90.25 159.79 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -116.76 115.22 25.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.987 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.7 t0 -79.03 177.75 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.8 -61.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 81.7 m-20 -79.07 -70.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.76 49.5 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -126.6 158.16 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -123.46 134.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 101' ' ' HIS . 62.1 t -131.46 141.43 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.5 p -149.97 147.71 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.753 ' CE1' HD12 ' A' ' 99' ' ' LEU . 7.8 m-85 -121.11 114.37 21.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -82.72 149.87 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -133.96 128.16 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -127.26 118.82 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.15 111.44 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 96' ' ' GLU . 21.5 mt -97.75 -40.92 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.07 -168.85 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 48.95 33.89 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.96 34.35 19.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.5 mtmm -128.73 150.42 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.9 m -144.66 149.49 35.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.662 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.8 tt0 -97.99 109.25 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 85' ' ' PHE . 68.3 t80 -98.54 130.37 45.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -132.67 109.29 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.1 tt -89.91 120.66 31.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.08 130.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.479 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.1 t-160 -131.79 109.32 10.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.12 -172.7 16.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.28 -22.32 4.22 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.852 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -87.22 174.0 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.4 -86.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 140.59 23.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -6.63 18.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -45.61 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.68 125.27 25.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 116' ' ' ALA . 7.1 mm -94.06 144.84 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.852 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.595 ' HB2' HD12 ' A' ' 120' ' ' ILE . 48.8 mttt -51.95 123.9 11.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.542 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 26.5 m -62.9 -45.78 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 52.4 p -49.47 -29.13 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.595 HD12 ' HB2' ' A' ' 117' ' ' LYS . 65.4 mt -79.61 -35.73 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.439 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.1 mm -66.57 -50.43 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -63.12 -25.32 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.2 -46.22 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.01 -49.74 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -51.13 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' VAL . 46.4 t -55.51 -48.14 75.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.92 -55.67 24.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.58 -20.99 70.48 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 133' ' ' VAL . 7.7 m95 -78.79 -37.98 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' SER . 43.8 t -59.11 -46.15 92.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.01 -51.36 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.6 mt -55.05 -39.02 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 129' ' ' TRP . 22.0 t -67.59 -33.21 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.69 39.24 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.2 mm-40 -141.35 -69.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 140' ' ' VAL . 39.3 mtmt -80.87 -68.62 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 136' ' ' LYS . 2.3 tt -38.76 -47.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 9.4 tttm -52.96 -52.09 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -68.49 -28.63 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 136' ' ' LYS . 40.9 t -69.08 -55.0 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 26' ' ' VAL . 2.2 t -71.71 -56.88 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 10.1 tt0 -54.71 -35.52 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 104' ' ' TRP . 3.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 149.04 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -82.45 118.24 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 122' ' ' ARG . 14.1 mt -54.51 90.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.2 ttpt -98.35 128.48 44.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.606 HE22 ' N ' ' A' ' 130' ' ' VAL . 7.3 mt-30 -124.87 87.07 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -84.47 122.11 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' HZ1' ' A' ' 138' ' ' LYS . 18.0 tt -149.46 153.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 96' ' ' GLU . 45.4 t -113.08 121.84 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 141' ' ' VAL . 33.8 m-85 -106.84 141.8 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.64 62.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -150.54 -171.7 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -111.14 161.63 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.3 -41.34 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -65.49 -30.28 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -54.46 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.814 HG12 HD21 ' A' ' 87' ' ' LEU . 24.3 t -55.78 -36.31 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t-105 -61.06 -46.68 89.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -56.6 -31.14 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.61 HG13 HG11 ' A' ' 140' ' ' VAL . 55.6 t -77.84 -7.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.552 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 17.8 m -135.42 43.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -165.93 34.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 p -141.27 168.3 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.78 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -37.95 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.78 -52.76 40.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.25 -51.85 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.06 -20.69 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.49 -7.37 52.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.7 p-90 -168.68 65.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 107.949 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' MET . 42.8 t80 -179.11 -67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.452 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 164.38 167.36 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.694 ' CB ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -165.61 177.94 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.8 t70 -117.14 64.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' ASP . 69.4 t80 -37.45 156.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.976 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.6 p -148.55 118.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.06 78.97 9.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 6.4 mt-10 -155.18 138.92 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG23 HD12 ' A' ' 66' ' ' ILE . 78.6 t -74.2 131.07 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.56 10.02 74.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.976 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.8 t60 -87.28 115.53 24.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.96 136.8 42.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 43' ' ' VAL . 1.1 p90 -133.97 -172.56 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.06 142.12 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' CB ' ' A' ' 40' ' ' ASN . 15.3 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p -149.41 156.58 42.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -132.25 131.1 41.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 66' ' ' ILE . 99.0 t -66.51 134.31 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 75' ' ' SER . 36.5 mt -98.06 -52.64 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.48 150.15 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 63' ' ' VAL . 88.6 mt -134.96 127.69 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 m-20 -158.24 82.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -46.47 -52.45 29.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.21 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 169.03 -74.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 177.43 -177.95 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -141.26 170.58 15.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.54 150.67 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.4 p90 -153.46 141.32 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 64' ' ' LEU . 88.7 p -94.34 143.1 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CZ2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -100.63 114.65 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 107.991 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -75.54 -179.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m 38.25 45.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -170.03 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.8 43.43 1.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -128.42 162.52 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.29 133.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 72.4 t -129.97 130.05 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -139.96 135.24 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 99' ' ' LEU . 44.4 m-85 -103.25 112.76 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' C ' HD12 ' A' ' 87' ' ' LEU . 2.2 m-20 -85.13 150.93 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 23' ' ' VAL . 6.4 mp -136.74 138.17 40.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -134.0 130.12 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.47 118.14 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 96' ' ' GLU . 11.7 mt -108.99 -40.63 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 110.32 -167.7 12.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 47.87 34.88 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.7 m120 59.81 36.37 22.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' GLY . 8.2 mtmm -129.93 146.95 51.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -143.33 138.3 29.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.532 ' HB2' HD11 ' A' ' 90' ' ' LEU . 4.6 tt0 -85.21 109.26 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.4 t80 -96.73 128.02 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.804 HG22 HD11 ' A' ' 100' ' ' ILE . 50.1 m -133.18 106.81 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -90.67 122.13 33.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.804 HD11 HG22 ' A' ' 98' ' ' THR . 3.0 mp -118.31 130.05 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -132.98 107.48 8.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.33 -161.32 11.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.58 -42.68 1.4 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.646 ' HB2' HD13 ' A' ' 7' ' ' LEU . 3.6 m95 -65.51 179.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.35 -73.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 145.72 32.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.94 20.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -52.38 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.56 140.4 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 116' ' ' ALA . 5.3 mm -101.22 161.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -51.25 130.49 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.7 m -59.78 -50.76 72.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 78.0 p -45.61 -33.94 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.24 -37.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.503 HG21 ' CH2' ' A' ' 104' ' ' TRP . 35.4 mm -67.79 -50.37 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.99 -25.74 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.16 -59.09 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -55.21 -41.43 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -69.15 -48.34 62.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 130' ' ' VAL . 34.6 t -58.73 -47.95 82.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.23 -51.04 27.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.404 ' O ' ' CG1' ' A' ' 132' ' ' ILE . . . -67.36 -32.0 78.39 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.687 ' O ' HG23 ' A' ' 133' ' ' VAL . 11.7 m95 -65.91 -42.14 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.606 ' N ' HE22 ' A' ' 12' ' ' GLN . 76.4 t -59.71 -50.77 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -65.68 -51.95 55.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 128' ' ' GLY . 65.7 mt -55.65 -39.05 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 129' ' ' TRP . 13.4 t -66.77 -31.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 133' ' ' VAL . 3.1 m-80 -115.64 38.34 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.5 mm-40 -142.06 -62.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.4 mtmm -91.37 -69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 137' ' ' LEU . 1.6 tt -35.61 -56.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.511 ' HZ1' HD11 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -48.66 -55.84 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -60.29 -37.34 80.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.61 HG11 HG13 ' A' ' 26' ' ' VAL . 63.7 t -62.59 -55.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -63.68 -57.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -20.94 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 107' ' ' PRO . 28.1 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.69 177.11 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 128.98 35.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 122' ' ' ARG . 6.4 mt -59.91 95.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -94.92 131.65 40.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.636 HE22 ' N ' ' A' ' 130' ' ' VAL . 20.6 mt-30 -130.25 91.31 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.485 ' OG1' HG23 ' A' ' 98' ' ' THR . 83.1 m -90.95 122.49 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.1 tt -144.77 151.37 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.09 136.77 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 137' ' ' LEU . 44.3 m-85 -124.92 160.54 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -89.05 64.07 6.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.38 -178.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 149.55 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.871 HG23 HE21 ' A' ' 21' ' ' GLN . 1.5 tt -45.14 -42.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.871 HE21 HG23 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -59.29 -47.48 85.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HZ1' HG22 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -60.16 -56.01 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 27' ' ' VAL . 95.0 t -54.47 -37.6 38.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.0 t-105 -60.99 -45.89 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -58.43 -31.03 67.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.7 HG13 HG11 ' A' ' 140' ' ' VAL . 77.7 t -76.25 -5.85 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 23' ' ' VAL . 18.6 m -142.01 44.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -165.92 30.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 5.3 p -138.07 -176.23 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -104.16 -38.75 6.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -43.5 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.2 37.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 42' ' ' PHE . 36.1 mt -58.71 -47.37 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.26 -20.27 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -8.83 57.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.708 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.9 p-90 -171.27 65.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 33' ' ' ILE . 12.7 t80 -178.89 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 165.72 163.78 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.57 8.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.697 ' CB ' HG12 ' A' ' 52' ' ' VAL . 8.8 p30 -168.24 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' PHE . 3.1 m-20 -118.08 66.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CD1' HD12 ' A' ' 33' ' ' ILE . 64.9 t80 -37.64 156.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.955 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.8 p -146.58 127.11 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 44' ' ' LEU . 10.2 tp -94.05 64.7 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 1.7 mt-10 -142.85 139.2 30.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG23 HD12 ' A' ' 66' ' ' ILE . 75.9 t -69.5 136.36 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 23.52 48.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.955 ' CD2' HG21 ' A' ' 43' ' ' VAL . 3.5 t60 -101.9 62.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 145.48 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD1' HG12 ' A' ' 43' ' ' VAL . 2.0 p90 -132.76 -172.17 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 146.16 49.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 40' ' ' ASN . 14.5 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' VAL . 9.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.2 Cg_endo -75.01 133.59 16.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 11.1 m -104.28 167.12 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -142.75 113.72 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.451 HG11 ' CG1' ' A' ' 66' ' ' ILE . 85.9 t -56.01 124.84 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.79 -57.21 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -133.28 150.66 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.661 HD12 HG23 ' A' ' 46' ' ' VAL . 69.9 mt -126.6 124.61 65.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.5 m-20 -159.41 75.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.03 -52.18 20.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 54.07 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 178.86 -171.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -156.03 164.33 38.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.16 156.39 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 27.1 p90 -157.11 143.81 18.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 82' ' ' VAL . 2.4 p -89.56 137.4 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.77 131.38 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.956 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -78.87 177.0 9.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.402 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 70.3 p 47.98 23.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER 172.87 102.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.3 -19.07 3.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.821 ' NE1' HD22 ' A' ' 111' ' ' LEU . 1.2 m0 -54.13 119.32 4.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -93.91 158.53 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 48.8 t -132.52 128.25 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -136.59 137.86 40.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.12 112.7 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.427 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.98 155.76 19.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.427 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.2 mp -135.98 142.92 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -138.14 121.62 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.54 121.55 23.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 96' ' ' GLU . 22.3 mt -110.05 -43.55 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.01 -169.47 13.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 51.28 28.36 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.76 30.82 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 91' ' ' GLY . 4.9 mtmm -124.14 150.02 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.77 HG21 ' HA ' ' A' ' 20' ' ' ILE . 80.5 m -143.13 147.07 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.69 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -99.21 101.46 12.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -87.15 125.32 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.77 HG22 HD11 ' A' ' 100' ' ' ILE . 87.3 m -127.74 105.62 8.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -89.75 134.02 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.77 HD11 HG22 ' A' ' 98' ' ' THR . 1.9 mp -128.97 123.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -132.0 108.96 9.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.12 -156.49 10.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.43 -33.32 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CH2' ' NE1' ' A' ' 81' ' ' TRP . 1.4 m95 -84.71 173.77 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.33 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.484 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -104.4 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.96 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -40.25 8.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 110' ' ' ILE . 1.6 pt-20 -61.11 166.74 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.6 mm -138.06 130.41 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.821 HD22 ' NE1' ' A' ' 81' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.856 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.7 mttm -50.83 132.27 26.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 82.6 p -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.4 p -66.86 -44.17 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.52 -45.08 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.1 mm -67.61 -46.93 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.621 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.71 -42.76 62.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.17 -54.3 31.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -49.99 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -52.91 63.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.4 t -53.35 -49.87 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.64 -60.14 6.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.26 -29.65 60.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.2 m95 -72.03 -43.32 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.636 ' N ' HE22 ' A' ' 12' ' ' GLN . 8.1 t -60.2 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.29 -51.74 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.99 -36.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 129' ' ' TRP . 17.8 t -67.95 -34.36 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -113.83 40.8 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.0 mm-40 -141.54 -65.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 140' ' ' VAL . 32.9 mtmt -92.53 -64.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.708 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.4 tm? -39.42 -47.7 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -56.95 14.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -59.88 -32.59 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 136' ' ' LYS . 49.7 t -63.58 -54.94 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.511 HG22 ' HZ1' ' A' ' 22' ' ' LYS . 2.7 t -69.71 -57.09 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -32.15 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' A' ' 104' ' ' TRP . 38.0 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -104.28 -174.09 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.1 m-20 -95.5 116.22 28.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 122' ' ' ARG . 23.4 mt -43.68 97.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.6 ttmm -96.3 127.63 42.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.861 ' OE1' HG22 ' A' ' 130' ' ' VAL . 3.2 mt-30 -128.48 83.24 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -83.6 121.65 27.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -149.93 151.05 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -109.82 125.28 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -112.9 159.27 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.36 69.39 9.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 22' ' ' LYS . . . -155.02 179.86 8.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -105.68 153.9 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 tt -49.1 -36.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -69.9 -39.22 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.69 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -66.41 -57.43 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -55.6 -35.57 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.63 ' HA ' HG22 ' A' ' 27' ' ' VAL . 48.3 t-105 -67.13 -45.93 75.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -56.99 -34.7 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.32 -14.22 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 24' ' ' TRP . 7.6 m -127.76 41.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.4 p -167.25 36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 p -146.61 172.61 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 -44.71 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -42.2 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.79 78.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 37' ' ' PHE . 51.4 mt -70.34 -52.92 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' MET . . . -57.23 -19.28 20.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' PHE . 2.0 p-90 -152.55 -68.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.014 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CB ' HG23 ' A' ' 33' ' ' ILE . 1.2 t80 -34.23 -69.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.83 158.54 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.44 13.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.568 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.1 OUTLIER -172.98 -172.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.28 61.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 33' ' ' ILE . 89.0 t80 -49.52 136.8 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.422 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -128.76 133.36 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -94.47 75.86 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CG2' ' A' ' 43' ' ' VAL . 1.3 mp0 -148.48 134.26 18.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.19 137.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.66 25.45 51.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -102.07 97.98 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.609 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.33 149.97 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.6 p90 -145.23 -175.66 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.58 145.06 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 40' ' ' ASN . 69.1 t . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 63.5 m -147.93 157.98 43.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 122.51 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.17 148.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.83 -56.12 2.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.77 149.32 51.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.1 mt -124.8 127.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' HIS . 8.8 m-20 -162.33 77.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -46.26 -50.84 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.26 -72.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 176.15 -173.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -148.92 162.52 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.1 150.23 52.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 46.0 p90 -154.86 146.64 23.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -94.12 165.94 12.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -118.83 112.94 20.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -64.46 173.3 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m 38.33 40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.448 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -163.18 -66.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.21 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -100.75 160.11 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 11.1 t -132.69 126.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.0 t -123.17 127.78 74.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t -134.15 129.86 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 m-85 -103.69 113.04 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.37 157.32 26.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 23' ' ' VAL . 4.8 mp -143.94 130.3 19.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -129.05 127.3 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -75.84 105.59 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.66 -49.28 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.66 -171.75 13.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 47.98 35.58 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.54 36.45 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.7 mtmm -132.64 146.84 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.06 144.81 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.18 112.97 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CZ ' HD11 ' A' ' 137' ' ' LEU . 6.5 t80 -98.77 123.12 42.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.573 HG22 HD11 ' A' ' 100' ' ' ILE . 41.5 m -130.26 112.02 12.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 tt -88.72 115.4 26.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.573 HD11 HG22 ' A' ' 98' ' ' THR . 12.8 mm -109.77 110.43 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.511 ' CG ' HG22 ' A' ' 83' ' ' VAL . 6.9 t-160 -131.88 118.3 19.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.9 -153.13 7.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.83 -50.19 0.89 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.888 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 2.1 m95 -66.14 178.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -139.58 -80.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m170 -102.98 134.75 19.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.496 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.44 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 142.92 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.3 mm -96.31 160.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.888 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.46 124.28 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.607 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 3.2 p -60.37 -20.68 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.1 p -77.53 -42.14 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.9 mt -61.19 -46.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.55 -48.65 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.578 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -55.37 -41.47 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.38 -52.15 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -47.66 75.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.456 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.4 OUTLIER -69.28 -53.07 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.737 ' O ' HG23 ' A' ' 130' ' ' VAL . 40.7 t -54.55 -52.58 61.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.16 -54.06 41.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.39 -26.3 66.11 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.456 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 6.3 m95 -75.91 -40.57 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.861 HG22 ' OE1' ' A' ' 12' ' ' GLN . 68.7 t -57.29 -46.52 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.59 -51.26 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -54.86 -43.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.9 t -64.84 -29.59 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.8 37.84 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.4 mm-40 -141.67 -71.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.749 ' O ' HG23 ' A' ' 140' ' ' VAL . 10.4 mtmt -83.86 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 1.2 tt -38.56 -48.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -51.1 -51.87 49.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.88 -33.99 74.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 136' ' ' LYS . 42.1 t -62.19 -52.4 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.69 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 2.0 t -68.9 -57.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -34.9 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.599 HD11 ' OG ' ' A' ' 118' ' ' SER . 19.8 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -98.22 156.43 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 132.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.22 84.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -85.54 134.58 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.497 HE22 ' N ' ' A' ' 130' ' ' VAL . 45.5 mt-30 -131.27 90.85 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.7 m -88.76 119.0 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.441 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 10.1 tt -146.26 154.37 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.08 121.11 64.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HG11 ' A' ' 141' ' ' VAL . 40.9 m-85 -108.86 153.59 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -84.16 76.1 10.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -163.05 174.5 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.6 m -95.55 156.12 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.573 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.0 OUTLIER -54.61 -39.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.69 -33.75 75.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HB3' ' HZ3' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.86 -57.53 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.22 -35.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' HZ2' HD21 ' A' ' 44' ' ' LEU . 28.3 t-105 -59.05 -46.11 89.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 t -57.87 -30.96 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG13 HG11 ' A' ' 140' ' ' VAL . 79.2 t -76.07 -10.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.655 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.3 m -132.21 48.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.3 p -157.25 -44.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -71.01 159.66 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -86.32 -41.61 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -51.1 53.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.72 -52.39 52.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 50.8 mt -58.97 -45.98 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.26 27.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 13.14 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.655 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 7.6 p-90 -174.9 47.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -171.68 -72.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mtm 175.45 163.22 0.41 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.457 ' OD1' HG13 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -164.76 -175.19 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -120.45 62.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 33' ' ' ILE . 14.4 t80 -36.52 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.594 HG12 ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.01 132.64 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.502 HD21 ' HZ2' ' A' ' 24' ' ' TRP . 7.8 tp -98.17 78.63 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 5.5 mt-10 -151.95 137.72 17.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 66' ' ' ILE . 65.7 t -74.88 129.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.65 89.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.507 ' CD2' HG11 ' A' ' 43' ' ' VAL . 2.4 t60 -92.16 146.22 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.88 155.1 51.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -142.05 -176.11 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.98 148.95 39.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' OD1' ' A' ' 40' ' ' ASN . 15.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 95.1 m -147.63 158.56 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -137.25 118.47 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.915 HG11 HD11 ' A' ' 66' ' ' ILE . 99.5 t -58.16 127.83 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -90.94 -56.28 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.42 149.55 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 HG11 ' A' ' 63' ' ' VAL . 15.3 mt -132.14 121.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -154.91 77.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 1.4 tt0 -44.82 -50.69 24.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.54 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.2 -73.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 179.31 -171.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.457 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -154.88 159.92 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.56 156.27 45.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 9.0 p90 -155.08 143.32 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 82' ' ' VAL . 94.5 p -93.22 167.68 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.455 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -123.83 119.19 28.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.21 171.84 13.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.8 p 44.7 27.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.69 -56.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.02 -19.47 54.66 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -59.38 145.91 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.4 t -120.37 143.87 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 25.4 t -136.76 137.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 t -146.47 145.71 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HE1' HD13 ' A' ' 99' ' ' LEU . 20.7 m-85 -121.8 112.95 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 155.97 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.36 135.29 38.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -132.44 124.08 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.25 114.7 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.18 -42.86 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.25 -174.41 15.52 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 53.03 25.11 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 72.88 26.67 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' GLY . 7.3 mtmt -119.52 145.79 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 20' ' ' ILE . 2.5 m -141.73 141.15 33.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -83.98 120.23 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.0 t80 -106.27 127.24 53.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 100' ' ' ILE . 21.6 m -133.01 109.08 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.621 HD23 HG21 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -94.94 131.48 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.567 HD11 HG22 ' A' ' 98' ' ' THR . 4.2 mp -130.7 129.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.472 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -130.45 113.85 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.08 179.24 16.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.34 -19.18 1.18 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.713 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.2 m95 -92.94 -165.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -160.73 -60.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -113.07 140.08 23.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.1 Cg_endo -75.0 -25.86 11.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -56.22 7.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.94 147.74 27.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 117' ' ' LYS . 3.2 mt -118.82 161.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.713 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 2.6 mp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG2' HD11 ' A' ' 110' ' ' ILE . 23.5 mttm -50.86 123.05 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.599 ' OG ' HD11 ' A' ' 7' ' ' LEU . 80.4 p -46.8 -37.83 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -54.98 -35.1 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.43 -50.94 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.04 -47.76 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -55.49 -48.11 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.28 -55.26 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.39 -51.36 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -32.2 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.8 t -59.64 -53.2 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.7 27.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -50.91 -30.69 22.94 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.0 m95 -78.57 -41.92 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.497 ' N ' HE22 ' A' ' 12' ' ' GLN . 13.0 t -60.63 -41.72 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.45 -51.58 16.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.44 -37.73 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 129' ' ' TRP . 24.1 t -67.84 -30.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.27 38.55 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.7 mm-40 -141.47 -71.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.834 ' O ' HG23 ' A' ' 140' ' ' VAL . 23.7 mtmt -79.47 -70.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 97' ' ' PHE . 10.1 tt -39.32 -51.43 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -49.12 -56.06 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 143' ' ' GLY . 3.0 mtpt -64.01 -32.05 73.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 136' ' ' LYS . 52.1 t -64.51 -54.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -65.62 -57.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -35.17 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -47.81 153.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -86.68 128.03 34.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.551 HD11 ' CB ' ' A' ' 122' ' ' ARG . 57.4 mt -63.48 82.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' ASP . 29.1 ttmt -87.7 135.01 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -131.29 86.55 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -83.06 122.97 29.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tt -151.24 154.3 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.567 HG12 ' HE2' ' A' ' 94' ' ' LYS . 84.2 t -112.29 124.02 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HB3' HG11 ' A' ' 141' ' ' VAL . 12.7 m-85 -105.91 154.54 20.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.66 78.85 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -171.73 -175.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -104.61 154.07 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HA ' HG21 ' A' ' 95' ' ' THR . 4.5 tt -50.29 -42.94 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -56.62 -45.28 81.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -69.4 -53.71 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG12 HD21 ' A' ' 87' ' ' LEU . 87.2 t -55.19 -36.55 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 16.3 t-105 -67.01 -49.28 65.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -31.2 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.614 HG13 HG11 ' A' ' 140' ' ' VAL . 16.8 t -75.11 -5.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 24' ' ' TRP . 28.2 m -138.13 41.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -161.33 27.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 33' ' ' ILE . 11.9 p -138.13 173.83 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.97 -43.82 11.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -42.06 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.86 44.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 29' ' ' THR . 77.8 mt -62.58 -55.06 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.799 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.35 -21.89 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -7.82 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.573 ' CH2' HD22 ' A' ' 137' ' ' LEU . 16.0 p-90 -172.11 65.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' CZ2' ' A' ' 76' ' ' TRP . 72.5 t80 178.43 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 177.37 152.54 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 128.68 11.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.2 OUTLIER -173.32 178.82 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.05 78.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.3 154.08 14.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.611 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -147.01 134.73 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.8 tp -96.96 70.54 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 mm-40 -138.51 141.54 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.44 133.99 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 24.07 56.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 t60 -93.88 113.95 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.786 . . . . 0.0 109.609 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.09 144.69 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -141.09 -173.81 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 145.0 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 40' ' ' ASN . 47.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 9.7 p -160.48 159.93 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -136.23 125.21 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.58 138.87 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -99.34 -56.52 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.24 150.59 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mt -130.36 123.35 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.2 m-20 -154.98 77.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -44.91 -52.01 20.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.0 54.03 3.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.26 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.44 -171.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.57 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -151.42 165.96 32.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.18 154.98 49.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 38.0 p90 -154.81 147.35 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -97.05 136.92 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CZ2' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -98.56 115.93 29.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.91 171.83 14.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.4 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 58.14 40.99 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -178.68 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.13 40.37 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -118.17 161.46 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 3.9 t -131.59 137.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 39.1 t -135.71 131.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -141.74 138.19 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 27.3 m-85 -106.75 112.91 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.2 156.58 23.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -143.71 131.45 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 95' ' ' THR . 9.1 ttmm -128.91 122.12 29.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.25 120.45 15.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 96' ' ' GLU . 24.0 mt -110.76 -39.23 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 103.77 -168.09 16.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.68 34.66 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ALA . 9.9 m-80 60.72 37.5 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HE2' HG12 ' A' ' 15' ' ' VAL . 10.6 mttt -133.4 150.67 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 20' ' ' ILE . 92.0 m -149.91 147.77 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.9 tt0 -93.54 126.16 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 1.9 t80 -115.65 128.88 56.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.5 m -131.11 105.26 7.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tp -88.73 125.58 34.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.25 127.57 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -129.29 113.82 15.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.44 -166.41 10.74 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.148 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.69 -34.31 2.04 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -57.83 176.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -123.38 -49.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 149.81 25.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.63 15.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.48 -47.28 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.54 166.77 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.65 154.49 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -51.23 118.25 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 t -47.68 -53.97 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 1.1 p -43.42 -34.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.8 mt -79.2 -48.03 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.7 mm -58.93 -50.16 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.551 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -64.86 -25.16 67.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -42.96 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -50.35 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -43.75 82.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 130' ' ' VAL . 16.2 t -59.09 -53.13 61.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -45.17 52.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.65 62.44 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.2 m95 -66.76 -38.25 86.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 126' ' ' SER . 87.2 t -57.99 -55.03 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -64.5 -51.25 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.69 -36.11 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.7 t -73.89 -29.02 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -115.61 36.99 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.8 mm-40 -140.58 -79.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 139' ' ' LYS . 0.8 OUTLIER -72.31 -69.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.573 HD22 ' CH2' ' A' ' 36' ' ' TRP . 24.9 tp -36.6 -52.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 1.7 tppt? -50.64 -52.69 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -65.26 -37.07 86.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.614 HG11 HG13 ' A' ' 26' ' ' VAL . 53.3 t -57.87 -55.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.4 t -72.08 -57.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -49.62 -36.94 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 107' ' ' PRO . 26.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -121.93 176.0 6.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -89.64 129.57 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.8 mt -60.45 83.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ASP . 7.9 tttt -89.43 144.83 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.433 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 33.1 mt-30 -145.81 95.56 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -90.71 122.06 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.11 154.56 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.87 126.92 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 141' ' ' VAL . 20.6 m-85 -116.55 149.81 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -79.65 77.35 6.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.673 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -163.85 -172.92 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -110.38 164.01 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 89' ' ' ASP . 2.2 tt -62.35 -37.73 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -67.94 -30.32 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.673 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 9.5 ttpt -78.49 -58.1 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -50.98 -36.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 35.3 t-105 -57.52 -43.75 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' THR . 0.9 OUTLIER -57.08 -35.9 69.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.832 HG22 HG12 ' A' ' 140' ' ' VAL . 45.9 t -71.32 -16.91 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 87' ' ' LEU . 27.7 m -126.37 38.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.6 p -165.21 31.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 4.7 p -130.04 155.76 45.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.6 -45.81 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -41.8 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.84 -52.92 45.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.56 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 16.2 mt -58.81 -46.57 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.21 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 14.96 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.655 ' CH2' HD23 ' A' ' 137' ' ' LEU . 5.5 p-90 -177.4 45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.408 ' O ' ' SD ' ' A' ' 38' ' ' MET . 82.6 t80 -170.96 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER 167.7 165.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.06 5.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -161.64 -171.77 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -123.67 67.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -39.41 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.735 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.7 p -150.64 113.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 74.03 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -152.15 128.36 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 66' ' ' ILE . 71.8 t -62.21 132.49 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.25 1.71 90.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.735 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.4 t60 -98.24 140.02 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.07 160.33 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.7 p90 -136.74 135.51 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -81.99 144.01 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 59' ' ' SER . 3.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 4.0 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.71 3.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 57.6 m -146.21 145.6 30.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.62 123.35 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.95 137.59 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 75' ' ' SER . 86.5 mt -102.28 -56.9 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -134.41 157.23 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.724 HD12 HG23 ' A' ' 46' ' ' VAL . 82.7 mt -133.99 131.68 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.0 m-20 -166.79 77.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.4 tt0 -46.74 -50.75 41.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.81 -72.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.37 -171.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.16 169.74 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.37 150.6 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 29.7 p90 -155.06 145.11 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 64' ' ' LEU . 92.5 p -97.35 151.56 19.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -100.45 114.06 27.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 107.974 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 49.9 m-20 -70.76 178.17 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.1 m 38.11 34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -163.7 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.08 38.61 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' TRP . 10.8 m0 -110.69 143.59 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 6.0 t -118.79 129.15 75.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 101' ' ' HIS . 52.6 t -129.01 127.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.6 p -135.87 129.12 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 99' ' ' LEU . 10.6 m-85 -108.06 114.14 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.47 157.62 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 27' ' ' VAL . 3.8 mp -141.81 118.94 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 95' ' ' THR . 3.9 ttpt -119.08 130.47 55.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.482 ' HB2' HG21 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -81.85 101.26 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 96' ' ' GLU . 39.8 mt -83.67 -44.35 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.42 -171.36 14.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 48.62 36.04 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 6.9 m-80 61.53 36.24 17.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.5 mtmt -133.06 144.36 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 88' ' ' LYS . 2.7 m -141.29 141.78 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' CB ' HD11 ' A' ' 90' ' ' LEU . 1.6 tt0 -86.4 111.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -97.6 119.11 35.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.714 HG22 HD11 ' A' ' 100' ' ' ILE . 86.6 m -125.14 105.37 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 98' ' ' THR . 2.7 mp -128.38 129.27 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -130.87 106.74 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.36 -166.73 21.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.24 -29.44 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.872 ' CE3' HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -95.16 168.71 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' LEU . 11.9 mttt -135.86 -70.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -98.05 148.42 34.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.704 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 -38.8 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.12 -39.0 89.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -58.15 146.46 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 111' ' ' LEU . 20.1 mm -120.25 167.3 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.872 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.4 mp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mttp -50.32 117.05 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.425 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 7.6 p -46.75 -29.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 p -68.21 -38.82 82.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.9 mt -61.25 -48.87 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.2 mm -63.17 -45.91 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.716 ' HG2' HD11 ' A' ' 10' ' ' ILE . 3.8 ttp180 -57.3 -49.09 77.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -65.04 -51.63 60.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -52.15 60.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.66 -46.45 89.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.561 ' O ' HG23 ' A' ' 130' ' ' VAL . 42.8 t -58.62 -48.59 80.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.57 -62.14 5.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.63 -27.49 68.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -70.2 -41.25 73.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' SER . 47.5 t -58.11 -53.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -61.9 -52.24 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.11 -40.9 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.08 -31.68 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -116.0 41.24 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.1 mm-40 -144.42 -53.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 140' ' ' VAL . 24.7 mtmt -105.07 -57.43 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.655 HD23 ' CH2' ' A' ' 36' ' ' TRP . 1.1 tm? -38.19 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.88 -54.53 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.6 OUTLIER -47.41 -46.32 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.832 HG12 HG22 ' A' ' 26' ' ' VAL . 55.7 t -59.34 -55.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -55.96 -57.23 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.65 -36.16 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -52.14 163.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.13 139.02 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 122' ' ' ARG . 73.7 mt -70.49 88.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -84.9 152.57 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.551 HE22 ' N ' ' A' ' 130' ' ' VAL . 61.1 mt-30 -153.15 78.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 m -79.38 119.43 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 tt -148.18 152.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 96' ' ' GLU . 41.4 t -110.88 131.57 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HB3' HG11 ' A' ' 141' ' ' VAL . 16.0 m-85 -112.9 153.32 28.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.59 64.73 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' CA ' ' A' ' 94' ' ' LYS . . . -155.22 -174.69 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -106.39 149.76 26.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.579 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.4 tt -47.26 -43.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.34 -32.55 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.4 ttpp -75.31 -52.85 9.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.32 -40.86 76.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 30.3 t-105 -60.09 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -32.1 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 140' ' ' VAL . 77.9 t -77.94 -5.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' VAL . 19.1 m -140.7 48.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -175.32 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 33' ' ' ILE . 8.4 p -148.27 -175.81 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -105.85 -39.55 6.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -42.34 20.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.55 -48.79 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 29' ' ' THR . 54.9 mt -65.96 -51.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -57.46 -18.52 18.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -12.76 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' PHE . 18.0 p-90 -148.2 -66.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' MET . 13.2 t80 -33.1 -68.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 160.17 172.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -160.06 -176.42 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.62 59.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -42.32 150.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.628 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -139.53 136.84 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 44' ' ' LEU . 13.3 tp -96.06 65.44 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 3.1 mm-40 -142.14 138.99 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.48 134.99 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.25 58.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.628 ' CD2' HG21 ' A' ' 43' ' ' VAL . 3.1 t60 -101.66 82.66 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 156.46 37.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.4 p90 -152.03 -171.46 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -110.51 150.46 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 ' CB ' ' A' ' 40' ' ' ASN . 61.9 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.29 10.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 3.4 m -137.84 170.43 16.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -147.48 114.79 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 66' ' ' ILE . 45.1 t -65.93 130.94 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -98.6 -57.19 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.85 149.32 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 63' ' ' VAL . 35.2 mt -137.96 114.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.09 80.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -45.07 -50.93 25.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.1 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 168.06 -74.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.71 -166.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.14 169.46 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.0 155.1 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -157.07 153.85 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 p -99.8 164.56 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -119.7 113.83 21.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.64 172.34 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m 44.17 42.34 4.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -163.15 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.98 36.82 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 101' ' ' HIS . 9.7 m0 -119.05 176.37 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.1 131.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 77.1 t -117.28 125.51 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.6 t -128.45 125.09 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -98.86 169.66 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.837 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -145.44 151.75 38.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.837 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.4 mp -145.38 137.62 25.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.62 124.18 26.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.91 95.39 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 96' ' ' GLU . 29.5 mt -84.75 -45.88 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 113.33 -169.72 13.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 48.66 35.03 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 17.5 m-80 61.82 35.29 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mttp -131.34 151.35 51.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.5 m -147.04 141.44 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.4 tt0 -84.23 113.15 20.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -103.98 125.58 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.549 HG22 ' CD1' ' A' ' 100' ' ' ILE . 3.3 m -131.78 108.6 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.572 HD23 HG21 ' A' ' 133' ' ' VAL . 0.9 OUTLIER -88.96 129.83 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.549 ' CD1' HG22 ' A' ' 98' ' ' THR . 1.6 mp -127.8 131.69 69.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.504 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.4 OUTLIER -128.78 139.81 52.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.625 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -158.06 174.84 35.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.89 -26.66 0.64 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.87 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 6.7 m95 -70.9 -164.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 -79.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 20.2 m80 -114.41 140.18 24.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.4 Cg_endo -75.01 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 -41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.47 152.71 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -109.98 157.85 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.87 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.524 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.4 OUTLIER -53.19 133.24 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 95.4 p -59.23 -47.01 86.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.9 p -61.33 -38.6 87.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 117' ' ' LYS . 13.0 mt -61.45 -50.71 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 116' ' ' ALA . 9.4 mm -64.26 -42.99 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.81 -44.04 73.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.99 -50.09 31.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.58 -52.26 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.45 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 4.2 mmt -58.75 -29.95 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -72.57 -52.77 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.08 -36.54 28.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.65 -37.03 12.42 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 125' ' ' MET . 7.6 m95 -65.04 -50.42 66.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.551 ' N ' HE22 ' A' ' 12' ' ' GLN . 40.6 t -55.62 -43.96 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.77 -52.43 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -38.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 99' ' ' LEU . 3.9 t -66.09 -33.21 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -116.81 42.76 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.4 mm-40 -142.78 -58.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 140' ' ' VAL . 14.8 mttm -100.86 -65.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -37.33 -57.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -48.86 -55.75 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.09 -40.43 76.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 136' ' ' LYS . 39.5 t -58.03 -54.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.461 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -66.28 -57.16 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -55.73 -20.89 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.72 166.65 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -100.55 124.87 46.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 122' ' ' ARG . 6.6 mt -60.32 85.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG22 ' A' ' 98' ' ' THR . 12.0 ttmt -90.49 132.97 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.723 ' OE1' HG22 ' A' ' 130' ' ' VAL . 2.3 mt-30 -128.54 82.61 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 98' ' ' THR . 32.5 m -81.22 120.13 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 6.4 tt -151.04 155.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.37 135.77 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 58.2 m-85 -122.42 160.11 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.91 74.73 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.78 -175.26 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -114.04 150.4 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -46.23 -32.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -68.8 -48.64 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -54.09 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.02 -35.1 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 28.1 t-105 -66.47 -49.77 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.57 -31.95 62.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG11 HD22 ' A' ' 137' ' ' LEU . 20.7 t -74.74 -8.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.4 m -137.68 43.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -165.65 39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 5.6 p -145.49 -176.04 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.12 -41.46 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -44.04 19.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.02 -51.49 45.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.86 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.81 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -77.08 -2.52 34.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 14.3 p-90 -174.72 65.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' MET . 3.5 t80 179.01 -64.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 161.39 166.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.526 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -162.43 176.88 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -114.88 66.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 29' ' ' THR . 54.5 t80 -37.64 151.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.587 HG21 ' CD2' ' A' ' 48' ' ' HIS . 1.2 p -147.36 119.07 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 tp -85.28 76.08 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -148.69 133.68 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 66' ' ' ILE . 55.2 t -67.79 135.41 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.44 16.42 65.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.587 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.9 t60 -110.06 116.38 31.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.54 157.16 17.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -131.0 171.09 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 144.49 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 40' ' ' ASN . 59.6 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -75.02 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -128.43 147.61 50.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -129.78 107.05 9.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 66' ' ' ILE . 80.2 t -55.83 125.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' SER . 20.1 mt -90.56 -55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.25 152.33 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 63' ' ' VAL . 60.3 mt -131.43 132.5 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.69 75.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -44.81 -50.99 23.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.28 3.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.562 1.822 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.8 -73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 179.43 -173.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.483 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -156.3 152.18 27.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -125.85 160.05 30.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.412 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 43.1 p90 -155.75 145.35 21.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.413 ' HB3' HD11 ' A' ' 64' ' ' LEU . 62.9 p -89.96 155.51 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.88 138.68 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.448 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -79.55 -178.98 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 33.0 p 37.07 45.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' THR . 1.5 m-20 156.35 110.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.93 53.22 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CZ2' ' CH2' ' A' ' 104' ' ' TRP . 10.1 m0 -117.29 134.47 54.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -106.05 146.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 101' ' ' HIS . 98.1 t -135.74 121.55 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 p -134.63 146.89 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CE1' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -119.88 112.83 19.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.99 149.62 26.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.49 141.35 51.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 tttt -129.72 132.04 46.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -83.65 102.72 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -93.68 -45.1 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 106.71 -169.53 15.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 47.96 35.76 5.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.4 m120 61.72 35.63 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.1 mtmm -132.03 148.48 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 m -149.3 142.18 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.02 121.64 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -105.7 132.4 51.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 11' ' ' LYS . 3.8 m -132.31 107.27 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 tt -90.52 119.44 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -122.01 117.18 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.559 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.3 t-80 -125.8 108.3 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -131.82 -156.25 8.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.48 -33.9 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.562 ' CH2' ' CZ2' ' A' ' 81' ' ' TRP . 10.0 m95 -55.91 176.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 -67.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 7.0 m170 -127.89 140.86 39.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -26.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -102.04 154.06 19.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.1 mm -101.01 155.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.549 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.854 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 117.08 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.545 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.0 p -50.88 -44.27 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 12.6 p -48.23 -30.22 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.7 mt -80.8 -48.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.854 HD11 ' HB3' ' A' ' 116' ' ' ALA . 2.6 mp -54.56 -50.53 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.17 -29.19 70.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.41 -46.89 46.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.85 -50.28 71.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -63.73 -44.98 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 130' ' ' VAL . 26.1 t -51.39 -52.95 41.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.16 -40.61 67.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.78 49.35 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.665 ' O ' HG23 ' A' ' 133' ' ' VAL . 2.5 m95 -68.53 -41.2 80.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 12' ' ' GLN . 82.3 t -60.03 -47.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.51 -51.66 40.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.74 -35.28 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -71.73 -29.11 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.433 ' ND2' HG12 ' A' ' 133' ' ' VAL . 2.6 m-80 -117.23 37.97 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.6 mm-40 -140.69 -53.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 140' ' ' VAL . 30.4 mtmt -101.39 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.603 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.3 tm? -36.83 -55.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -52.17 -54.39 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.97 -34.98 70.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 136' ' ' LYS . 38.3 t -64.49 -54.48 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -66.28 -57.18 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -56.32 -36.71 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 107' ' ' PRO . 25.0 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CZ ' ' A' ' 122' ' ' ARG . 7.1 m120 -121.72 173.57 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.16 134.99 37.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 122' ' ' ARG . 20.6 mt -66.01 84.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -83.21 139.29 33.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -137.23 86.74 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 m -88.28 121.16 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.51 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 8.8 tt -149.17 153.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 96' ' ' GLU . 67.5 t -110.14 121.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 35.0 m-85 -110.81 150.59 28.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -79.46 75.95 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -162.93 178.61 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LYS . 7.3 m -105.28 152.16 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.1 tt -42.81 -62.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -52.37 -29.13 22.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.584 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -71.15 -55.79 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HB ' HD23 ' A' ' 87' ' ' LEU . 89.2 t -62.89 -35.13 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.0 t-105 -59.46 -48.86 80.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -54.31 -30.86 52.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG13 HG11 ' A' ' 140' ' ' VAL . 40.1 t -75.46 -7.22 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 28.1 m -138.49 47.67 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -173.07 34.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -141.0 179.56 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 -44.77 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -41.85 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.07 -53.52 36.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 80.6 mt -64.48 -46.18 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.98 -19.9 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.76 9.72 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.639 ' CZ2' HD23 ' A' ' 137' ' ' LEU . 5.1 p-90 -176.22 54.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 25.3 t80 -178.79 -70.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 170.39 160.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.28 5.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.418 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.3 OUTLIER -161.58 -178.46 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.99 78.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -53.81 161.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.836 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.2 p -150.12 121.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.56 65.61 9.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.2 mm-40 -141.11 134.38 29.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.54 141.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.17 24.94 10.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.836 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.3 t60 -103.61 72.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 149.81 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -138.69 -177.54 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -105.01 149.39 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.608 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 38' ' ' MET . 95.3 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 141.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 21.3 m -102.75 161.99 13.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 108.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -141.22 116.0 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.4 135.06 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.57 -56.48 2.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -132.31 146.58 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.9 127.36 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.78 74.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tt0 -44.83 -50.13 26.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.03 54.42 3.65 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.37 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 177.64 -171.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.635 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.91 166.36 33.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 155.88 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 31.9 p90 -156.45 150.98 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 p -95.79 160.04 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -121.64 127.37 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -70.68 178.15 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 82.4 p 37.01 50.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 78' ' ' THR . 3.2 m-20 156.36 110.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.9 53.23 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.535 ' HE1' HD22 ' A' ' 111' ' ' LEU . 16.1 m0 -118.04 157.54 26.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.85 136.97 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.5 t -124.78 128.87 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -137.39 145.92 43.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -119.2 112.99 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.34 151.55 22.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 23' ' ' VAL . 5.7 mp -132.86 146.02 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 ttpt -141.0 115.76 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -72.57 122.34 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -109.8 -44.02 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 118.61 -170.46 13.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 49.97 30.93 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 m120 64.76 33.55 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLY . 11.4 mttp -128.44 150.51 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.619 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.7 m -149.11 142.78 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.4 tt0 -86.97 120.77 28.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -105.59 125.5 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.691 HG22 HD11 ' A' ' 100' ' ' ILE . 90.0 m -128.22 106.52 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.1 134.06 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.691 HD11 HG22 ' A' ' 98' ' ' THR . 4.4 mp -130.7 127.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.491 ' CE1' ' SD ' ' A' ' 125' ' ' MET . 5.2 t-80 -131.73 111.74 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.71 -163.92 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 -26.99 2.75 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.684 ' CE3' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -87.54 -176.9 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -139.05 -70.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -104.58 150.67 38.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.02 -16.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -49.98 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.56 145.18 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.1 mm -118.61 158.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.684 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -51.74 117.15 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -50.49 -26.73 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 p -77.78 -48.19 17.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -55.22 -45.25 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.476 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.5 mm -67.33 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.03 -50.91 60.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.66 -49.0 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.88 -52.83 59.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -71.13 -35.08 71.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.598 ' O ' HG23 ' A' ' 130' ' ' VAL . 12.4 t -62.12 -53.39 56.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.13 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.8 8.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.697 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.2 m95 -74.07 -39.37 63.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 126' ' ' SER . 27.4 t -60.42 -55.15 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -60.62 -52.26 65.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.0 mt -55.38 -36.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 129' ' ' TRP . 4.8 t -67.72 -33.39 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -116.37 41.16 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.9 mm-40 -141.64 -52.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.1 mtmm -108.68 -62.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.639 HD23 ' CZ2' ' A' ' 36' ' ' TRP . 3.3 tm? -36.49 -59.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 45.4 tttm -54.56 -56.65 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -50.71 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.558 HG11 HG13 ' A' ' 26' ' ' VAL . 86.3 t -52.88 -55.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 18' ' ' ALA . 2.0 t -58.84 -57.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -49.43 -46.08 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -179.97 163.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.13 163.62 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 150.43 36.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.35 162.06 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 56.23 175.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 104' ' ' TRP . 23.1 mt -93.24 121.83 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.86 145.98 46.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 m-20 -79.92 113.63 18.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.8 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' ASP . 10.9 ttmt -104.41 132.61 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.27 84.22 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -84.71 119.57 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 HD13 ' CE1' ' A' ' 16' ' ' PHE . 14.5 tt -147.56 153.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 96' ' ' GLU . 93.0 t -114.06 118.76 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CE1' HD13 ' A' ' 14' ' ' ILE . 28.8 m-85 -105.45 164.33 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -91.24 71.66 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.5 -179.35 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -105.11 159.14 16.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.6 tt -55.35 -30.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -70.14 -44.74 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -70.13 -51.99 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG12 HD21 ' A' ' 87' ' ' LEU . 49.5 t -54.48 -35.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.7 t-105 -68.84 -43.64 75.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 t -53.85 -30.65 46.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG13 HG11 ' A' ' 140' ' ' VAL . 69.7 t -76.13 -19.96 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 24' ' ' TRP . 27.5 m -124.4 51.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.0 p -169.88 31.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.948 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -140.91 -178.13 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.1 -41.49 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -41.8 26.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.66 -48.95 82.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.22 -47.6 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.27 -20.43 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.49 2.33 22.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.576 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 29.2 p-90 -173.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 108.025 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.1 t80 179.56 -72.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.59 158.74 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.8 5.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.677 ' CB ' HG12 ' A' ' 52' ' ' VAL . 2.9 p30 -162.68 172.66 14.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.63 72.05 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -43.01 148.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.73 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -138.92 114.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 tp -80.97 74.43 7.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' C ' HD11 ' A' ' 66' ' ' ILE . 3.8 mt-10 -143.99 144.58 31.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.44 130.57 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.6 70.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.73 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.5 t60 -91.64 126.9 36.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.9 148.5 36.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.3 p90 -140.32 -172.41 3.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 57.4 m80 -135.57 138.01 42.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.677 HG12 ' CB ' ' A' ' 40' ' ' ASN . 3.4 m -106.05 168.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -113.18 101.29 9.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.48 148.14 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.21 32.85 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.93 154.2 26.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.08 25.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.454 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -134.86 96.54 14.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HB3' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.05 166.73 28.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 81.0 m -139.08 169.25 18.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -145.11 114.71 7.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.04 140.72 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.2 mt -105.47 -55.32 2.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.05 150.26 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' C ' ' A' ' 45' ' ' GLU . 69.6 mt -129.57 123.81 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -157.1 77.74 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.08 -51.39 23.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.77 -73.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.46 -174.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -148.75 167.16 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.7 148.85 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 42.0 p90 -156.87 145.09 19.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.4 p -91.13 166.14 13.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -119.92 113.55 20.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.021 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.08 178.6 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m 40.32 38.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 111' ' ' LEU . 30.8 m-20 -167.88 -61.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.51 55.68 1.32 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 101' ' ' HIS . 18.1 m0 -136.23 169.55 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.58 134.5 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.626 HG22 ' CG ' ' A' ' 101' ' ' HIS . 79.8 t -129.99 116.34 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.0 130.02 52.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 83' ' ' VAL . 13.7 m-85 -107.77 112.44 25.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.513 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -87.56 154.93 20.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 HG12 ' A' ' 23' ' ' VAL . 5.7 mp -139.32 139.34 37.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -132.0 126.39 33.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.14 108.03 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.31 -45.33 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.38 -170.08 14.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.04 27.83 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 0.81 . . . . 0.0 109.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 69.2 31.73 3.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mttp -128.23 151.58 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.2 m -150.17 145.13 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.5 tt0 -90.18 124.37 34.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.26 128.86 54.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.413 ' CG2' ' HE2' ' A' ' 11' ' ' LYS . 71.1 m -132.05 105.96 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -88.77 117.35 27.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 mm -114.19 114.69 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.626 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.7 t-160 -132.65 113.36 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.88 -138.87 6.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.42 -52.69 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 118' ' ' SER . 0.0 OUTLIER -100.15 170.59 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -70.62 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m170 -90.72 140.86 26.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.639 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -75.02 93.61 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.23 -45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.665 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -50.7 161.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 109' ' ' GLU . 4.6 mm -138.84 142.64 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 79' ' ' ASP . 1.1 mp -102.01 159.59 28.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.1 176.23 10.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.1 -71.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' PRO . . . -63.6 -54.47 35.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 t30 53.77 83.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.913 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . -173.95 156.78 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.8 mttt -50.74 125.44 13.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 5.0 p -56.41 -33.7 66.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -68.19 -26.69 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.52 -49.98 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.913 HD11 ' HB3' ' A' ' 116' ' ' ALA . 4.7 mp -63.68 -37.11 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -55.21 -46.83 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -73.03 -46.85 49.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.59 -52.37 63.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 1.5 tpt -67.89 -45.02 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 130' ' ' VAL . 15.7 t -55.14 -52.77 62.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.03 -62.72 5.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 132' ' ' ILE . . . -54.83 -33.09 55.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.766 ' O ' HG23 ' A' ' 133' ' ' VAL . 9.9 m95 -71.74 -42.11 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 126' ' ' SER . 43.7 t -56.82 -51.31 69.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.09 -52.41 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 128' ' ' GLY . 10.9 mt -54.54 -40.64 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 129' ' ' TRP . 46.2 t -66.5 -28.91 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -120.24 40.42 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.54 -76.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' HG23 ' A' ' 140' ' ' VAL . 1.7 mttp -83.27 -59.24 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 140' ' ' VAL . 31.4 tp -39.76 -60.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -48.59 -42.59 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -69.86 -29.25 66.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.754 HG11 HG13 ' A' ' 26' ' ' VAL . 99.5 t -71.35 -54.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.6 t -63.54 -54.03 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -51.05 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.469 0.176 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 178.74 56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 57.92 165.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -121.83 151.19 40.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.417 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.1 m120 -139.85 164.32 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 105' ' ' LYS . 20.8 p 46.67 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 2.6 mt -79.06 118.52 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -42.13 154.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.3 m-20 -90.16 126.26 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.705 HG22 ' OE1' ' A' ' 12' ' ' GLN . 79.8 mt -60.24 85.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -92.43 132.69 36.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.705 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.7 mp0 -133.22 79.7 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 98' ' ' THR . 95.9 m -78.54 123.38 27.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.47 HG23 ' CE2' ' A' ' 16' ' ' PHE . 17.2 tt -147.53 152.81 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' A' ' 96' ' ' GLU . 72.7 t -113.0 126.4 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE2' HG23 ' A' ' 14' ' ' ILE . 63.3 m-85 -113.35 164.67 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -93.0 63.08 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.55 -178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -106.33 153.29 22.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.009 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -51.25 -33.28 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -71.93 -35.74 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -74.79 -55.77 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG12 HD21 ' A' ' 87' ' ' LEU . 77.7 t -53.65 -38.36 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 17.9 t-105 -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -32.23 60.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 137' ' ' LEU . 76.5 t -72.66 -12.5 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 47.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -172.46 36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -145.86 174.8 10.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.04 -45.63 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -39.49 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.34 -53.26 44.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.42 -46.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.01 -20.13 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 t -75.18 -3.57 33.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.67 ' CH2' HD22 ' A' ' 137' ' ' LEU . 11.3 p-90 -171.84 65.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CG ' ' A' ' 38' ' ' MET . 2.4 t80 178.04 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 163.16 158.99 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.6 8.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 52' ' ' VAL . 2.9 p30 -163.18 -170.11 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.95 59.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 86.4 t80 -37.5 141.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.531 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -134.44 125.72 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.64 69.27 9.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -143.44 129.52 19.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.71 140.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.03 30.41 7.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.531 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.9 t60 -106.93 67.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 153.23 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -144.13 -173.55 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.44 144.16 41.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.516 HG22 ' CB ' ' A' ' 40' ' ' ASN . 55.3 t -130.58 163.76 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' HG12 ' A' ' 52' ' ' VAL . 5.1 tp-100 -118.38 127.01 53.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.58 162.28 45.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.61 7.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -85.62 -58.98 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.17 178.32 38.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.58 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.548 1.814 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.1 p -136.77 96.68 11.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.95 42.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 63.0 m -125.73 160.12 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -139.33 116.65 11.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.41 143.91 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.5 mt -106.82 -56.59 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.2 mt -124.43 128.41 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.58 75.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.95 -50.63 25.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.97 54.22 3.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.58 -74.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -177.84 -164.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.39 167.01 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.47 151.22 50.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 14.3 p90 -156.85 142.56 17.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.429 ' HA ' HG22 ' A' ' 82' ' ' VAL . 35.3 p -88.68 164.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -125.1 122.3 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.9 OUTLIER -76.85 -177.46 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.438 ' HA ' ' CD ' ' A' ' 113' ' ' LYS . 25.7 p 38.78 32.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -158.31 -69.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.02 -22.61 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CZ2' ' HB1' ' A' ' 114' ' ' ALA . 4.9 m0 -66.69 166.87 12.17 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -129.62 134.82 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.2 t -119.05 119.03 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.7 m -134.28 143.01 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -110.2 171.71 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.46 153.66 42.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.459 HD21 HG12 ' A' ' 23' ' ' VAL . 4.7 mp -139.17 137.8 36.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -131.05 120.41 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.87 109.66 8.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.83 -39.2 7.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.34 -168.24 12.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 49.2 33.76 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 60.29 33.36 20.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.4 mtmm -124.71 159.66 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -156.3 147.32 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.433 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.8 tt0 -91.58 115.03 27.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CE2' HD21 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -100.88 125.89 47.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 100' ' ' ILE . 69.3 m -132.57 109.13 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.91 127.76 35.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 98' ' ' THR . 4.1 mp -123.4 118.75 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -128.15 121.34 29.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.585 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.31 -162.59 9.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.8 -37.68 1.33 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.542 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 5.3 m95 -53.46 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 6' ' ' THR . 8.5 mtmt -133.69 -49.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.1 m170 -143.43 137.4 14.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.3 Cg_endo -75.03 93.67 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.95 -35.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.53 140.04 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.3 mm -96.93 130.24 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.4 ' CD1' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -72.22 143.69 86.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.62 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -84.01 55.12 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 113' ' ' LYS . . . 175.67 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 0.7 OUTLIER 70.89 -174.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 69.38 148.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.59 ' HB2' HD12 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -53.41 120.76 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.542 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 62.8 m -51.11 -57.77 7.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.7 p -45.74 -40.91 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.59 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.8 mt -66.37 -46.24 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.8 mm -59.4 -47.83 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 10' ' ' ILE . 4.4 ttp180 -51.37 -46.57 62.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -64.66 -52.18 58.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -54.48 -52.0 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.62 66.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.2 t -52.43 -50.06 63.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -58.82 9.05 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.94 -36.22 93.13 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.457 ' HA ' ' CE3' ' A' ' 129' ' ' TRP . 2.3 m95 -63.84 -39.75 94.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -66.27 -36.49 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -75.09 -51.26 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 136' ' ' LYS . 87.7 mt -55.22 -43.13 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.01 -31.05 51.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.448 ' OD1' ' CD1' ' A' ' 14' ' ' ILE . 9.2 m-80 -113.43 36.52 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.4 mm-40 -141.89 -74.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 140' ' ' VAL . 2.4 mttp -80.6 -65.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.67 HD22 ' CH2' ' A' ' 36' ' ' TRP . 8.9 tp -38.78 -54.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -49.4 -48.47 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.6 -29.09 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 136' ' ' LYS . 62.4 t -69.04 -55.16 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.503 ' CG2' HG21 ' A' ' 26' ' ' VAL . 1.4 t -66.36 -56.72 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.67 -31.83 66.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.503 0.192 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.66 169.61 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.96 145.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.49 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -150.03 161.18 42.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.14 173.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.685 HD11 ' OG ' ' A' ' 118' ' ' SER . 60.5 mt -96.07 159.41 14.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.75 172.06 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -92.97 122.32 35.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 12' ' ' GLN . 35.9 mt -57.69 89.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -93.72 133.38 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 10' ' ' ILE . 5.9 mp0 -130.6 88.24 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.6 m -88.2 119.48 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.646 HD12 ' OD1' ' A' ' 134' ' ' ASN . 1.9 tt -145.06 151.25 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' ILE . 52.2 t -105.61 141.18 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.11 156.63 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -89.77 67.06 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.76 178.22 8.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -97.42 156.9 16.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.512 HG23 ' NE2' ' A' ' 21' ' ' GLN . 3.7 tt -54.28 -38.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' NE2' HG23 ' A' ' 20' ' ' ILE . 25.0 mp0 -63.64 -32.18 73.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -47.85 16.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -63.31 -35.92 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 26.9 t-105 -61.33 -46.44 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 108.035 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -54.62 -31.56 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.649 HG13 HG11 ' A' ' 140' ' ' VAL . 91.7 t -74.13 -9.18 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 34.7 m -135.41 47.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 91.5 p -169.04 35.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -147.9 175.74 10.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 110.452 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -97.09 -42.67 7.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -42.95 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.8 -47.81 83.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -71.33 -43.44 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -57.81 -20.67 37.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -75.74 -4.8 42.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 137' ' ' LEU . 23.6 p-90 -168.83 64.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' MET . 45.5 t80 -179.49 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 165.14 166.33 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -169.62 175.4 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -115.59 75.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 86.3 t80 -43.28 154.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.779 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.6 p -141.04 133.25 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.9 tp -103.98 69.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 25.7 mt-10 -146.52 130.41 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.16 136.64 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.65 18.36 51.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.779 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.3 t60 -103.71 97.12 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.06 151.0 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.623 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -129.44 -171.87 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.94 136.13 49.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.594 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 59' ' ' SER . 3.1 m -120.92 166.69 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -103.58 117.51 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.53 156.37 47.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.97 20.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -138.39 70.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.43 158.04 16.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.706 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.5 t -124.71 96.75 40.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.56 38.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 6.7 m -137.77 130.46 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 108.303 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -106.36 117.28 33.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 66' ' ' ILE . 48.5 t -59.49 129.17 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.6 mt -91.79 -55.29 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -136.65 150.3 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.72 HD11 HG11 ' A' ' 63' ' ' VAL . 67.8 mt -133.09 114.92 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.1 m-20 -146.59 79.05 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.2 -51.08 26.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.243 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.5 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 167.62 -72.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.78 -178.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.36 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 150.88 52.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 48.5 p90 -155.8 148.1 23.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -96.32 159.9 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -116.45 115.04 25.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.96 -178.46 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.3 p 42.95 28.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' CZ3' ' A' ' 81' ' ' TRP . 2.4 m-20 -165.46 -54.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.34 20.21 39.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.507 ' CZ3' ' OD2' ' A' ' 79' ' ' ASP . 17.4 m0 -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.7 134.84 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 101' ' ' HIS . 84.4 t -136.21 135.94 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -144.95 132.55 20.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.88 112.64 25.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -82.7 157.28 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD21 HG12 ' A' ' 23' ' ' VAL . 4.1 mp -141.77 133.53 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -131.4 125.31 32.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -84.4 110.76 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.42 -46.29 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 122.38 -169.02 14.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 53.96 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.65 27.44 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -118.42 159.21 23.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -149.61 141.57 23.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.17 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.56 107.29 19.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 137' ' ' LEU . 65.9 t80 -92.75 124.67 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.816 HG22 HD11 ' A' ' 100' ' ' ILE . 52.5 m -130.36 106.75 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 131.09 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 98' ' ' THR . 3.3 mp -126.44 126.1 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.487 ' HB2' HG22 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -133.01 107.22 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.64 -166.1 13.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 136.03 -32.26 2.53 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.655 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 2.2 m95 -82.87 154.67 24.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -73.35 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' CB ' ' HG2' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -100.01 145.95 31.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HA ' ' OG ' ' A' ' 118' ' ' SER . 18.1 Cg_endo -75.01 -29.03 8.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -54.44 10.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 3.8 pt-20 -50.14 155.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 15.3 mm -128.69 142.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.453 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.3 mp -65.79 150.57 96.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -61.89 -75.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.07 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 23.5 t30 79.09 75.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -173.74 152.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.559 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.2 mttt -51.03 117.65 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.685 ' OG ' HD11 ' A' ' 7' ' ' LEU . 65.2 p -55.72 -43.18 76.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -45.09 83.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 117' ' ' LYS . 67.6 mt -63.64 -46.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.655 HG21 ' CZ2' ' A' ' 104' ' ' TRP . 18.1 mm -61.88 -47.0 95.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 126' ' ' SER . 6.2 ttp180 -50.76 -45.74 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -47.93 46.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -52.23 63.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -29.87 67.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 16.5 t -71.64 -52.82 16.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.93 -48.56 51.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.07 88.64 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.75 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.3 m95 -59.93 -44.51 94.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.491 HG23 HE21 ' A' ' 12' ' ' GLN . 2.9 t -56.14 -54.74 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -62.31 -52.58 63.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 62.0 mt -54.07 -35.32 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 129' ' ' TRP . 20.8 t -69.82 -33.98 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.646 ' OD1' HD12 ' A' ' 14' ' ' ILE . 10.5 m-80 -115.71 43.72 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.2 mm-40 -143.67 -63.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mttm -95.89 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.56 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 5.9 tp -38.45 -48.81 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -59.02 -53.98 52.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -31.13 67.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.649 HG11 HG13 ' A' ' 26' ' ' VAL . 69.3 t -69.0 -55.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.533 HG23 HG21 ' A' ' 26' ' ' VAL . 1.5 t -64.11 -55.18 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.86 -39.37 85.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.48 0.181 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 173.39 -167.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -148.05 124.07 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -69.72 124.16 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -154.45 136.7 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 61.15 174.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.1 mt -93.99 -179.07 4.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -118.41 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.7 m-20 -116.18 105.99 13.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -42.75 98.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -101.24 137.3 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.51 85.33 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 m -87.35 119.74 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.692 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 4.6 tt -150.56 151.99 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.72 126.33 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 41.9 m-85 -114.52 156.56 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.73 76.52 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -165.35 176.43 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -100.34 158.77 15.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.2 tt -57.36 -33.65 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -68.83 -37.67 79.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -70.61 -55.17 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.635 HG12 HD21 ' A' ' 87' ' ' LEU . 70.0 t -54.74 -35.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 41.9 t-105 -62.74 -45.17 93.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -58.51 -31.48 67.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 HG11 ' A' ' 140' ' ' VAL . 73.9 t -76.64 -15.51 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.7 m -128.96 47.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 29' ' ' THR . 92.5 p -167.27 31.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 28' ' ' SER . 2.6 p -153.26 160.17 42.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -78.96 -48.18 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.91 49.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.86 -49.71 57.41 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 29' ' ' THR . 55.0 mt -63.63 -43.6 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -20.48 46.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m -78.79 0.1 28.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.564 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 27.4 p-90 -176.07 63.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' MET . 66.1 t80 -179.16 -64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 162.28 167.06 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -159.15 -176.27 5.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -110.84 -19.46 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.577 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 53.3 t80 51.96 173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.902 HG21 ' CD2' ' A' ' 48' ' ' HIS . 3.9 p -167.93 128.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -95.26 74.67 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 35.2 mt-10 -149.47 150.45 32.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 HD12 ' A' ' 66' ' ' ILE . 42.6 t -77.11 134.01 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.65 24.38 52.85 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.902 ' CD2' HG21 ' A' ' 43' ' ' VAL . 3.8 t60 -99.86 107.78 19.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.584 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -89.67 141.61 28.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -125.86 -174.54 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.7 139.42 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 40' ' ' ASN . 18.7 t -133.09 152.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -110.75 130.94 55.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.9 154.48 81.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.2 3.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.11 -64.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.5 174.94 34.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.01 4.15 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.64 96.74 29.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.13 7.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 1.7 m -143.59 153.75 42.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 122.62 18.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.42 HG11 ' CG1' ' A' ' 66' ' ' ILE . 96.0 t -65.75 147.51 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -108.95 -55.11 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -131.65 144.08 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.453 HD12 HG23 ' A' ' 46' ' ' VAL . 73.0 mt -125.26 127.75 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.4 m-20 -160.63 76.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.9 tt0 -44.74 -51.17 22.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 53.91 3.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 -71.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 177.11 -172.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.51 158.66 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.85 154.0 49.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 22.7 p90 -154.8 158.48 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -107.21 168.26 9.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -120.78 119.3 32.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.001 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.4 174.17 9.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m 39.71 36.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -160.36 -76.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.59 38.27 1.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -118.01 143.2 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.34 131.13 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 65.6 t -126.56 129.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 132.58 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 83' ' ' VAL . 9.9 m-85 -111.9 112.67 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -83.15 156.95 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 23' ' ' VAL . 5.6 mp -139.93 138.34 35.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.634 ' HD2' HD21 ' A' ' 90' ' ' LEU . 1.6 ttmm -134.2 131.65 38.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.12 116.61 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.634 HD21 ' HD2' ' A' ' 88' ' ' LYS . 31.9 mt -104.23 -45.44 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.13 -170.33 13.22 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.62 27.89 4.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER 68.27 30.11 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 91' ' ' GLY . 25.7 mttm -122.97 152.16 41.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.69 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.5 m -149.37 140.13 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -83.5 120.14 25.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -105.54 120.9 42.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -125.47 109.79 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 tt -89.48 115.84 27.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.75 114.0 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 1.1 t-160 -124.46 113.54 18.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.74 -155.59 7.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.99 -24.78 5.64 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 6.0 m95 -75.81 -171.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -144.43 -92.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -90.67 144.41 30.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.641 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.22 21.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -83.18 -60.81 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 110' ' ' ILE . 10.6 pt-20 -49.98 164.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 109' ' ' GLU . 7.6 mm -131.54 141.55 45.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -70.09 156.38 91.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -73.23 -71.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.86 -67.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 4.8 t30 79.26 178.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.75 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 19.6 mttt -52.09 124.23 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 2.5 t -54.53 -46.72 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.459 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 30.6 p -43.34 -35.01 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 mt -79.21 -40.49 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.483 HG21 ' CH2' ' A' ' 104' ' ' TRP . 42.8 mm -64.99 -50.12 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.459 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -64.28 -25.41 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -49.52 25.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -45.91 75.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -44.83 95.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.615 ' O ' HG23 ' A' ' 130' ' ' VAL . 45.5 t -63.35 -51.26 66.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -48.93 -40.96 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.69 -42.28 11.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 133' ' ' VAL . 3.9 m95 -57.23 -40.3 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 126' ' ' SER . 68.5 t -59.76 -46.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -69.72 -52.11 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 94.8 mt -55.71 -38.52 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.6 t -68.34 -29.77 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -116.7 37.22 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.6 mm-40 -141.05 -69.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.996 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.6 mtmm -87.12 -57.12 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 137' ' ' LEU . 1.2 tm? -38.93 -58.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -56.83 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -52.24 -35.98 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 136' ' ' LYS . 21.7 t -66.19 -55.38 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.52 HG13 ' HZ1' ' A' ' 22' ' ' LYS . 2.1 t -62.67 -57.38 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.1 -28.25 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.46 0.171 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.59 124.65 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.92 165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -62.74 96.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -145.8 158.01 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 107' ' ' PRO . 9.1 mt -43.43 116.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -54.47 160.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.57 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.0 mt -83.62 94.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.8 148.15 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -148.99 83.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 98' ' ' THR . 47.2 m -82.4 121.21 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.5 tt -143.14 153.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.73 122.72 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 138' ' ' LYS . 12.6 m-85 -110.9 163.13 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -92.94 70.08 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.24 -178.48 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -104.79 151.4 23.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.7 tt -47.96 -36.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -68.47 -41.96 79.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -57.52 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -53.68 -40.51 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 27' ' ' VAL . 34.5 t-105 -62.88 -44.37 96.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -32.43 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 t -76.75 -14.8 14.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' TRP . 5.7 m -128.76 45.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.9 p -165.85 30.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 p -140.65 -178.85 5.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.09 -43.88 7.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -45.55 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.17 -43.85 63.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -73.07 -55.0 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.31 -20.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -15.28 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HD23 ' A' ' 137' ' ' LEU . 9.0 p-90 -143.87 -63.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' A' ' 38' ' ' MET . 46.2 t80 -46.97 -87.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.414 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -174.3 167.22 2.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.83 9.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.819 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -163.35 171.05 16.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -99.43 46.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASP . 89.8 t80 -34.44 136.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.33 136.36 58.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.49 67.37 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.1 mt-10 -144.31 136.85 26.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.49 139.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.61 31.74 9.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 t60 -102.44 69.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.14 145.75 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.3 p90 -138.57 -174.52 3.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.18 145.99 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 40' ' ' ASN . 84.2 t -133.01 155.12 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -108.19 117.66 34.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.53 151.44 67.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.58 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -113.59 51.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.01 158.87 34.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.524 ' HG ' ' HG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER -136.21 96.63 12.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.27 32.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 9.0 m -116.02 155.11 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -134.8 113.78 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 66' ' ' ILE . 48.5 t -61.39 138.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.42 -54.15 2.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.21 147.46 52.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 63' ' ' VAL . 73.8 mt -131.12 125.71 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -157.1 78.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -44.98 -50.98 24.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.4 3.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.7 -73.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.77 -173.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.58 162.79 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.26 154.61 50.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 47.1 p90 -155.52 153.19 29.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 82' ' ' VAL . 44.8 p -93.31 168.94 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -130.02 113.13 14.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' ASP . 2.0 m-20 -69.58 -176.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.524 ' HG1' ' HG ' ' A' ' 59' ' ' SER . 70.6 p 37.6 33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.0 m-20 -166.09 -71.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 110.19 -3.17 29.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 121' ' ' ILE . 21.3 m0 -77.82 146.24 35.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 75' ' ' SER . 7.0 t -116.29 135.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 64.0 t -124.02 128.56 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 p -136.85 138.56 40.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' A' ' 83' ' ' VAL . 10.9 m-85 -115.19 112.69 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.64 153.15 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.88 136.18 38.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 95' ' ' THR . 1.7 ttpt -134.85 127.39 30.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -79.94 119.27 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.8 mt -108.71 -35.85 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 105.74 -169.37 15.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 47.87 35.12 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 60.17 36.69 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.3 mtmt -130.74 147.32 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 88' ' ' LYS . 6.5 m -148.16 144.01 27.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.19 120.18 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -109.24 117.41 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.606 HG23 ' OG1' ' A' ' 13' ' ' THR . 16.7 m -124.15 109.28 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.491 HD23 HG21 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -91.26 130.9 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.92 120.39 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.507 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -121.64 116.29 24.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.5 -155.42 6.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.91 -23.36 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.754 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 33.6 m95 -64.24 -178.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -132.85 -61.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.12 147.18 43.11 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.489 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -32.89 57.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -93.0 149.02 21.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 116' ' ' ALA . 19.6 mm -108.92 154.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.754 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -83.76 158.31 62.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.03 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -75.63 -77.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . -39.37 -61.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 10.1 t-20 72.2 171.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 70.57 160.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -50.73 128.65 21.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.561 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 11.3 m -64.5 -39.81 94.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 p -54.33 -43.54 71.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.01 -46.5 91.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.501 HG21 ' CZ2' ' A' ' 81' ' ' TRP . 5.3 mm -68.98 -39.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.0 mtp180 -54.59 -47.37 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -72.15 -48.76 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -50.91 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.4 tpt -69.86 -34.83 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.762 ' O ' HG23 ' A' ' 130' ' ' VAL . 2.9 t -58.77 -53.83 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.32 -57.02 16.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.68 -40.42 48.27 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.656 ' O ' HG23 ' A' ' 133' ' ' VAL . 17.7 m95 -67.91 -42.29 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 126' ' ' SER . 69.1 t -58.0 -47.01 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -70.48 -52.7 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.65 -34.73 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 129' ' ' TRP . 12.2 t -70.67 -33.38 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -116.78 41.73 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.8 mm-40 -142.04 -57.08 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 140' ' ' VAL . 21.7 mtmt -108.01 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.7 tm? -35.96 -64.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' ' CE1' ' A' ' 16' ' ' PHE . 7.6 tttt -51.01 -49.34 60.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.38 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 136' ' ' LYS . 36.4 t -59.53 -55.12 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -62.24 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.475 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.9 OUTLIER -51.92 -44.58 63.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.938 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.535 0.207 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.81 173.64 12.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -162.23 -178.68 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -86.92 145.67 26.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.63 -162.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -57.69 145.96 32.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.616 HD22 ' HD3' ' A' ' 122' ' ' ARG . 0.8 OUTLIER -40.84 130.46 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -65.73 169.12 6.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.87 145.98 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' ILE . 9.1 mt -76.43 84.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -85.29 136.74 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -133.4 79.95 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.526 ' OG1' HG23 ' A' ' 98' ' ' THR . 89.7 m -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 tt -150.77 151.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.54 121.49 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -107.94 156.37 19.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -86.12 76.43 9.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -167.11 174.62 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.7 m -99.23 160.91 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.4 tt -55.64 -43.34 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -65.01 -32.41 74.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.1 ttpp -75.55 -55.15 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.04 -35.36 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.1 t-105 -65.55 -44.68 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 t -56.06 -30.83 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' CG1' ' A' ' 140' ' ' VAL . 49.3 t -76.64 -15.22 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 27' ' ' VAL . 3.3 m -131.34 52.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 p -166.39 30.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -141.69 163.79 31.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.53 -51.68 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -39.51 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.79 -42.43 68.68 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.48 -53.23 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.07 -20.31 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -50.59 -26.53 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.7 p-90 -132.9 -65.74 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' TRP . 42.0 t80 -34.7 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -175.49 168.75 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.855 ' HB2' HG12 ' A' ' 52' ' ' VAL . 4.4 p30 -157.95 -163.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.42 69.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 21.0 t80 -48.0 163.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.86 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -158.07 121.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 tp -86.22 76.1 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.9 mt-10 -149.92 134.74 17.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 t -73.83 128.2 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 9.0 87.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.86 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.1 t60 -91.41 127.44 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 62' ' ' LYS . 12.9 mt-10 -106.31 169.36 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 11.2 p90 -168.73 -176.71 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 33.9 t-80 -118.42 144.05 46.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' A' ' 40' ' ' ASN . 8.8 m -133.89 168.46 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -95.4 94.74 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.99 156.62 57.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.51 7.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.74 30.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.41 -170.25 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 115.42 4.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.828 ' O ' HG22 ' A' ' 52' ' ' VAL . 49.3 m -132.72 119.04 15.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.95 -174.43 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 1.7 m -148.52 161.38 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' CB ' ' HG2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -143.62 123.08 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 66' ' ' ILE . 84.3 t -70.68 135.77 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.03 -52.57 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.4 146.57 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HG11 ' A' ' 63' ' ' VAL . 73.0 mt -130.94 114.96 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -146.13 83.79 1.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -48.5 -50.86 56.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.01 54.29 3.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 168.2 -73.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 178.94 -177.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -143.5 168.22 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.24 151.59 39.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 25.6 p90 -156.18 145.67 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.9 p -97.18 160.16 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.542 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -111.31 120.94 43.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.014 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.42 177.79 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m 38.3 34.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -158.45 -61.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.03 42.19 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -126.85 143.91 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.25 141.04 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 101' ' ' HIS . 58.8 t -137.29 133.45 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.1 p -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.765 ' CE1' HD12 ' A' ' 99' ' ' LEU . 2.4 m-85 -125.66 116.27 21.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.29 151.2 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mp -127.67 140.66 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 95' ' ' THR . 3.0 ttpt -133.58 124.9 27.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.7 101.67 8.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.61 -48.01 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.41 -169.55 12.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 50.4 29.9 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.5 32.82 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' GLY . 26.0 mttt -128.95 155.57 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.3 m -153.74 141.44 19.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.3 115.19 21.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.58 126.99 48.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 13' ' ' THR . 17.7 m -132.05 110.41 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -96.63 121.76 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.27 122.25 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.62 ' CG ' HG22 ' A' ' 83' ' ' VAL . 8.5 t-160 -131.92 111.54 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.582 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.41 -144.41 4.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 124.59 -39.06 2.2 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 118' ' ' SER . 8.4 m95 -52.89 176.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -136.1 146.0 54.65 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.99 -0.62 10.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.37 -24.14 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -103.67 150.82 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 117' ' ' LYS . 27.5 mm -108.0 158.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.71 150.75 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.1 Cg_endo -75.01 172.64 15.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 66.96 -72.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -64.26 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 6.1 t-20 82.37 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.98 154.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 110' ' ' ILE . 12.7 mttp -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.612 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 54.6 p -52.92 -33.56 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.3 p -60.91 -40.04 91.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 10.7 mt -62.25 -48.98 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.33 -45.23 86.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.616 ' HD3' HD22 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -55.63 -44.71 77.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.76 -53.14 44.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.35 -48.44 71.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 3.4 mmt -69.81 -47.83 61.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 41.4 t -52.11 -51.82 55.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.44 -62.29 6.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -53.83 -23.13 21.18 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.459 ' CD1' ' O ' ' A' ' 125' ' ' MET . 9.1 m95 -77.98 -46.06 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.9 t -54.48 -34.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.9 -51.49 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.8 mt -54.84 -43.75 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.77 -28.6 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -116.59 36.74 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.3 mm-40 -141.57 -81.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.986 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.9 mttp -79.47 -56.37 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -37.74 -41.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 16.1 tttm -68.39 -55.74 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.75 -26.71 57.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 136' ' ' LYS . 16.0 t -72.51 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.09 -56.26 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.08 -38.05 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 mtp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.561 0.219 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.98 54.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -128.23 172.56 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -156.32 141.94 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.79 176.85 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 105' ' ' LYS . 1.3 m 53.62 178.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.575 HD11 ' HA ' ' A' ' 107' ' ' PRO . 24.5 mt -83.2 118.38 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -72.35 168.3 18.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 100' ' ' ILE . 41.8 m-20 -92.65 133.18 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.657 HD11 ' HG2' ' A' ' 122' ' ' ARG . 13.7 mt -62.36 84.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' ASP . 33.1 ttmt -89.36 138.26 31.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -137.5 90.93 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.4 m -85.04 119.0 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -146.91 153.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -109.52 127.6 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -109.66 143.88 38.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -78.95 62.36 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.17 -171.75 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -111.17 153.13 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -49.47 -48.97 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -56.21 -33.51 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -77.21 -57.44 3.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.671 HG12 HD21 ' A' ' 87' ' ' LEU . 31.8 t -53.49 -36.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 29.0 t-105 -61.75 -48.13 82.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -54.81 -30.92 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG11 ' CD1' ' A' ' 137' ' ' LEU . 24.2 t -74.69 -11.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 23' ' ' VAL . 14.7 m -134.56 46.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.2 p -163.57 29.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.8 p -144.59 174.13 11.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.28 -47.12 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -49.59 58.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -53.12 35.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' THR . 26.4 mt -63.48 -47.52 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.733 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.47 27.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -1.72 29.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.576 ' CH2' HD22 ' A' ' 137' ' ' LEU . 25.2 p-90 -172.21 63.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.026 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' MET . 64.0 t80 -178.69 -65.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.22 165.86 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 121.3 6.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.496 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.92 169.37 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -109.64 68.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -47.12 148.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.815 HG21 ' CG ' ' A' ' 48' ' ' HIS . 0.9 OUTLIER -132.31 142.92 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.72 75.99 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -155.73 131.91 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.67 130.41 29.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.5 2.23 87.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.815 ' CG ' HG21 ' A' ' 43' ' ' VAL . 1.6 t60 -82.55 124.64 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.45 166.46 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 61' ' ' CYS . 9.3 p90 -167.51 -178.02 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.93 159.75 35.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 59' ' ' SER . 2.4 m -132.86 146.7 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.384 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -92.66 125.49 37.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.04 146.8 62.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -179.35 -60.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.97 149.5 20.77 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 52' ' ' VAL . 3.2 m -124.2 98.77 38.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.36 18.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 12.9 m -141.52 157.94 44.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -133.13 124.96 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 66' ' ' ILE . 42.3 t -63.83 141.55 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.44 -56.89 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -140.69 149.26 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 63' ' ' VAL . 61.9 mt -128.69 124.25 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -157.02 77.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tt0 -45.74 -50.73 32.45 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.04 54.18 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.38 -73.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.54 -172.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.83 166.09 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.95 151.89 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 2.3 p90 -157.2 145.27 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.6 p -93.18 170.27 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.554 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 1.2 t90 -123.78 120.13 31.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -80.47 -179.63 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 39.64 32.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -162.78 -61.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.66 35.22 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' TRP . 22.1 m0 -111.74 161.47 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.37 140.54 48.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.584 ' CG1' ' CE1' ' A' ' 85' ' ' PHE . 99.1 t -134.47 126.6 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -140.06 134.2 31.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.711 ' CE1' HD12 ' A' ' 99' ' ' LEU . 6.6 m-85 -114.74 114.62 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.667 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -84.33 153.37 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.671 HD21 HG12 ' A' ' 23' ' ' VAL . 7.2 mp -136.43 139.93 42.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -136.21 122.38 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.83 106.85 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.22 -46.41 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 108.19 -171.98 16.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 48.18 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 36.07 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 91' ' ' GLY . 6.2 mtmt -133.14 149.02 52.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -147.54 145.72 29.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.67 120.05 32.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -106.57 133.78 50.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 100' ' ' ILE . 20.3 m -131.64 105.71 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.711 HD12 ' CE1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -89.22 115.7 26.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.574 HD11 HG22 ' A' ' 98' ' ' THR . 2.8 mp -118.29 121.72 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -128.74 109.65 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.594 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.86 -159.41 9.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.1 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.2 -35.36 2.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 111' ' ' LEU . 4.1 m95 -67.24 -169.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.715 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -141.86 -79.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -102.89 147.6 34.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.575 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.99 -2.2 12.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.16 -48.21 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.33 152.25 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 3.9 mm -125.67 149.86 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -80.06 154.2 74.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -61.24 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . -40.0 -65.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.7 t30 71.75 72.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.13 153.14 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' HD12 ' A' ' 120' ' ' ILE . 9.8 mttt -51.43 118.26 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.536 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -60.03 -23.79 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 90.8 p -75.95 -35.61 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 117' ' ' LYS . 97.4 mt -76.03 -42.49 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.496 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.4 mm -60.84 -40.57 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.657 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.13 -49.25 78.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -65.73 -45.95 80.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -51.67 68.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.404 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -67.36 -44.19 79.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 37.1 t -63.18 -52.17 63.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.77 -52.98 23.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.25 75.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.582 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.5 m95 -78.33 -39.08 40.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.63 -43.05 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.49 -51.78 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.76 -40.05 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 129' ' ' TRP . 26.7 t -66.83 -32.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -114.64 40.0 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.3 mm-40 -141.41 -73.25 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 140' ' ' VAL . 11.4 mtmm -81.01 -65.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.642 ' CD1' HG11 ' A' ' 26' ' ' VAL . 10.6 tp -39.32 -52.7 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.66 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.5 t -66.42 -55.27 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.11 -57.18 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.96 -39.11 73.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.508 0.194 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.78 -177.41 6.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.438 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 17.5 tt0 -41.33 136.16 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -68.53 143.25 54.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' GLN . 36.7 m-80 -162.05 166.16 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER 55.86 171.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 107' ' ' PRO . 24.5 mt -91.95 179.97 5.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -139.41 -170.58 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -102.07 114.48 28.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 122' ' ' ARG . 9.1 mt -48.38 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASP . 31.1 ttmt -96.13 145.81 25.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.614 ' OE1' HG22 ' A' ' 130' ' ' VAL . 32.4 mt-30 -147.65 92.76 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.421 ' CG2' ' OE2' ' A' ' 96' ' ' GLU . 28.2 m -88.02 124.6 33.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 tt -150.38 154.78 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.27 123.8 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' HB3' HG11 ' A' ' 141' ' ' VAL . 27.8 m-85 -107.22 152.37 24.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.39 71.87 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.82 -173.68 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -110.01 158.92 17.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 3.2 tt -53.1 -39.77 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -58.79 -43.87 90.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -52.23 29.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 27' ' ' VAL . 57.8 t -56.49 -35.78 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HA ' HG22 ' A' ' 27' ' ' VAL . 37.1 t-105 -68.45 -50.39 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -34.3 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 137' ' ' LEU . 18.8 t -75.02 -22.49 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG22 ' HA ' ' A' ' 24' ' ' TRP . 8.1 m -120.35 45.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -165.6 31.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.2 p -142.18 -176.23 4.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -108.45 -35.35 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -42.67 20.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.73 -53.27 35.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 60.5 mt -60.51 -46.54 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -55.57 -20.43 13.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 8.36 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.644 ' CH2' HD22 ' A' ' 137' ' ' LEU . 9.8 p-90 -172.67 54.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -178.28 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.401 ' HE2' ' HB2' ' A' ' 38' ' ' MET . 0.0 OUTLIER 167.56 164.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.32 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' PHE . 6.9 p30 -158.4 175.38 13.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -111.32 62.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 72.5 t80 -37.72 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.0 123.89 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -90.22 80.8 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -154.23 131.64 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HD12 ' A' ' 66' ' ' ILE . 40.9 t -68.64 130.26 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.39 89.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.0 151.89 23.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.64 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.93 170.28 16.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.1 p90 -144.99 147.58 32.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.57 135.64 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.578 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 59' ' ' SER . 2.6 p -122.52 161.91 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 52' ' ' VAL . 4.0 mm100 -114.9 91.28 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 172.12 7.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.17 20.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.23 91.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.09 122.42 4.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.97 15.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 21.1 m -136.54 99.57 10.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 54.5 m -106.07 147.41 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -124.42 127.55 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 66' ' ' ILE . 32.8 t -65.26 124.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.18 -56.18 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -133.89 147.6 51.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.544 HD11 HG11 ' A' ' 63' ' ' VAL . 72.9 mt -126.88 127.88 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -161.25 77.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -45.61 -51.25 29.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.05 54.43 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.43 -73.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.24 -172.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.55 170.54 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.82 157.2 44.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 20.9 p90 -156.99 153.16 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' CYS . 33.4 p -105.02 162.87 12.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -117.96 114.15 22.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -72.81 175.27 6.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 78' ' ' THR . 1.0 OUTLIER 41.43 32.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -157.38 -71.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.88 29.77 4.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -107.76 146.35 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.83 129.89 74.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 47.9 t -130.25 137.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -147.28 142.26 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -114.58 113.34 24.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.89 151.83 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 3.3 mp -129.38 142.22 50.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -135.72 125.89 26.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.32 103.61 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 96' ' ' GLU . 51.5 mt -92.7 -40.33 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 102.96 -171.26 20.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 49.21 34.96 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.77 34.23 14.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mtmm -131.77 145.95 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.88 145.02 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.425 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -91.13 117.62 29.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -104.46 127.18 52.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.523 HG22 HD11 ' A' ' 100' ' ' ILE . 23.8 m -130.7 108.56 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.38 131.6 36.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.523 HD11 HG22 ' A' ' 98' ' ' THR . 3.4 mp -128.08 126.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.21 106.92 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.28 -168.29 13.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.45 -9.6 5.3 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.817 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.8 m95 -103.98 178.56 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 6' ' ' THR . 12.3 mtpp -140.79 -78.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 2.0 m80 -100.29 141.97 23.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.612 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.01 -20.7 16.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -54.68 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -59.13 164.12 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 111' ' ' LEU . 3.9 mm -126.83 163.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.817 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -92.38 158.61 38.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.03 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -71.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -41.1 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 1.2 t30 71.54 172.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 68.91 155.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -50.59 120.05 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.551 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.3 m -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.0 p -42.86 -41.69 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.56 -39.37 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.562 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.6 mm -57.69 -49.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.647 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.9 ptm180 -66.42 -25.53 66.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 15.9 t0 -72.8 -51.95 16.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.99 -39.14 91.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -50.3 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 130' ' ' VAL . 27.5 t -54.48 -52.78 60.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.14 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.22 -36.65 93.49 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.696 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.1 m95 -61.27 -41.61 97.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.614 HG22 ' OE1' ' A' ' 12' ' ' GLN . 53.0 t -61.86 -52.11 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -62.63 -52.38 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 66.5 mt -55.0 -40.78 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -65.78 -29.3 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.99 41.26 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.5 mm-40 -142.44 -56.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 140' ' ' VAL . 20.3 mttm -101.56 -72.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.644 HD22 ' CH2' ' A' ' 36' ' ' TRP . 16.2 tp -37.35 -41.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 37.1 tttm -60.62 -55.09 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.94 -30.11 71.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 136' ' ' LYS . 71.6 t -63.46 -55.58 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.2 t -72.55 -41.56 63.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 4.9 tt0 -67.74 -21.3 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 mmm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.541 0.21 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.72 165.64 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 179.41 167.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -121.77 145.63 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.13 -2.63 11.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.31 174.06 7.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 104' ' ' TRP . 15.4 mt -84.0 105.6 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -71.89 153.12 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 100' ' ' ILE . 4.3 m-20 -77.72 133.15 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.439 HD11 ' CB ' ' A' ' 122' ' ' ARG . 23.9 mt -60.63 84.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASP . 22.9 ttmt -88.83 130.62 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.879 ' OE1' HG22 ' A' ' 130' ' ' VAL . 13.9 mt-30 -130.72 82.78 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -81.35 123.88 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 tt -149.96 151.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -112.37 126.64 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -113.27 158.42 20.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -85.95 75.67 9.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -168.37 172.35 8.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -95.25 156.12 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 tt -52.33 -35.81 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -64.02 -45.31 89.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -65.61 -56.21 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 27' ' ' VAL . 90.2 t -52.2 -45.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CZ3' HD22 ' A' ' 72' ' ' LEU . 27.2 t-105 -57.23 -46.74 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.12 -31.64 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG13 HG11 ' A' ' 140' ' ' VAL . 74.0 t -77.45 -0.93 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 23' ' ' VAL . 31.5 m -144.65 40.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 42' ' ' PHE . 97.8 p -160.7 35.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.956 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 p -149.96 176.77 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -46.36 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -39.7 28.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.54 -46.04 66.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.122 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.459 HD12 ' CD1' ' A' ' 42' ' ' PHE . 61.9 mt -75.13 -46.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.56 -20.77 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.5 m -72.7 -4.63 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 17.4 p-90 -173.45 66.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -179.61 -70.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.5 mtm 171.16 165.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' HB3' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -168.93 178.13 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.09 72.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 78.0 t80 -40.22 146.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.643 HG21 ' CD2' ' A' ' 48' ' ' HIS . 1.2 p -135.56 128.2 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 44' ' ' LEU . 9.6 tp -95.66 66.03 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -141.58 136.02 30.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.23 137.41 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.25 25.61 54.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.643 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.9 t60 -110.38 86.74 2.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.586 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 152.13 34.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.4 p90 -130.16 -173.61 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.66 136.79 53.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG12 ' HB3' ' A' ' 40' ' ' ASN . 2.1 m -122.84 164.83 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -113.51 113.3 24.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.06 160.65 31.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.74 14.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.59 79.44 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.74 145.5 0.11 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 142.92 28.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 m -132.47 96.76 18.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 12.9 m -111.45 136.51 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 108.26 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 115.87 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 66' ' ' ILE . 87.6 t -61.99 130.02 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.47 -57.03 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.48 148.9 49.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.966 HD11 HG11 ' A' ' 63' ' ' VAL . 81.0 mt -137.45 113.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 5.8 m-20 -147.91 80.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -45.23 -51.15 26.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.1 Cg_endo -75.06 54.57 3.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.01 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 177.25 -173.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -149.23 165.83 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.03 151.7 48.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 31.0 p90 -157.07 147.7 21.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 82' ' ' VAL . 41.9 p -92.56 159.38 15.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -117.7 117.71 30.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 108.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -77.51 -175.9 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 75.6 p 46.17 29.65 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.23 -72.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.19 2.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.416 ' HZ2' ' HB1' ' A' ' 114' ' ' ALA . 20.8 m0 -107.35 166.77 10.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.8 t -135.65 137.11 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.469 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 52.2 t -133.78 128.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.8 t -136.2 133.43 37.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' HD13 ' A' ' 99' ' ' LEU . 53.3 m-85 -104.82 112.94 26.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.26 154.51 25.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -142.9 129.47 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -125.95 135.04 51.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.52 109.54 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -97.53 -47.45 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.41 -170.13 14.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.85 24.77 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.253 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.93 30.8 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLY . 22.1 mttt -123.4 161.41 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -154.94 146.59 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.62 110.57 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -100.47 126.15 46.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.789 HG22 HD11 ' A' ' 100' ' ' ILE . 56.4 m -131.8 116.89 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.523 HD13 ' CE1' ' A' ' 85' ' ' PHE . 2.8 tp -97.63 123.68 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.789 HD11 HG22 ' A' ' 98' ' ' THR . 3.6 mp -123.82 124.69 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.5 t-160 -128.11 109.49 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.89 -171.88 15.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.32 -36.46 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 118' ' ' SER . 0.9 OUTLIER -78.69 -170.21 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -147.39 -76.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -106.73 134.37 19.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.555 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 164.97 -53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 141.22 55.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.506 HD11 ' HG2' ' A' ' 117' ' ' LYS . 10.7 mm -96.65 161.0 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.54 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -100.14 153.58 37.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -53.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.578 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -94.71 73.97 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 113' ' ' LYS . . . 170.21 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 15.2 t30 78.01 179.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 63.21 143.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.6 OUTLIER -54.13 129.95 36.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 6.3 m -50.51 -51.75 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 11.8 p -48.15 -35.67 12.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 117' ' ' LYS . 50.6 mt -78.7 -29.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 116' ' ' ALA . 45.5 mm -75.29 -50.17 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -64.43 -25.29 67.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -50.78 19.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -42.33 84.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -66.73 -45.92 77.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 130' ' ' VAL . 25.8 t -59.09 -53.18 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.52 -58.75 7.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.58 -34.29 69.24 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.785 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.3 m95 -68.77 -45.26 71.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.879 HG22 ' OE1' ' A' ' 12' ' ' GLN . 75.4 t -54.97 -48.99 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.25 -52.26 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.45 -32.72 25.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 129' ' ' TRP . 44.7 t -74.33 -32.79 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -115.84 40.43 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 6.1 mm-40 -141.15 -68.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.624 ' O ' HG23 ' A' ' 140' ' ' VAL . 3.6 mttp -91.48 -67.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 18.4 tp -39.01 -45.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -58.45 -52.35 66.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -64.74 -29.77 70.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 136' ' ' LYS . 96.3 t -64.51 -55.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.597 HG23 HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -71.96 -54.54 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.12 -40.2 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.51 0.195 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 69.08 113.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -176.04 172.59 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.35 166.31 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -145.52 165.4 28.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 105' ' ' LYS . 1.4 m 50.98 177.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 104' ' ' TRP . 7.7 mt -87.09 168.32 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -119.32 171.98 7.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -94.41 125.55 39.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 10' ' ' ILE . 41.0 mt -60.26 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -91.06 132.89 35.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -128.66 89.52 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.42 HG23 ' OE1' ' A' ' 96' ' ' GLU . 76.7 m -82.32 123.99 29.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 97' ' ' PHE . 19.3 tt -150.61 154.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.18 132.66 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' HB3' HG11 ' A' ' 141' ' ' VAL . 24.9 m-85 -120.41 149.79 41.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -80.15 67.86 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.45 177.81 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -103.67 157.57 16.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.778 ' HA ' HG21 ' A' ' 95' ' ' THR . 2.9 tt -49.7 -44.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -58.21 -48.2 81.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.719 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -61.27 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 HD21 ' A' ' 87' ' ' LEU . 97.1 t -53.48 -35.65 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 27.7 t-105 -63.03 -48.82 77.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.1 t -54.5 -31.41 55.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 137' ' ' LEU . 3.6 t -73.92 -5.8 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.13 43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -162.61 29.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 p -138.98 161.58 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.57 -44.3 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -42.9 25.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.73 -52.08 48.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.13 -43.5 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.89 -20.54 37.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -4.85 46.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 16.9 p-90 -167.18 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' MET . 8.7 t80 -178.74 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER 161.26 165.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.83 5.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.34 -178.63 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -121.26 78.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.43 163.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 48' ' ' HIS . 1.4 p -153.14 143.1 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -111.48 78.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -156.46 123.11 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.541 HG23 HD12 ' A' ' 66' ' ' ILE . 39.6 t -60.37 127.39 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.2 2.98 85.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.528 ' CG ' HG21 ' A' ' 43' ' ' VAL . 2.5 t60 -97.27 136.02 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.584 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.56 157.42 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.4 p90 -138.07 160.12 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.07 144.8 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.545 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 159.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -110.22 123.2 49.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.06 166.91 19.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.53 19.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.96 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.72 -169.03 37.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 105.83 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.0 m -114.22 96.83 43.85 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.62 38.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 72.1 m -130.86 143.82 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -123.54 126.47 46.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.872 HG11 HD11 ' A' ' 66' ' ' ILE . 75.2 t -65.14 134.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 75' ' ' SER . 96.4 mt -99.99 -54.3 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -137.48 146.02 43.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.872 HD11 HG11 ' A' ' 63' ' ' VAL . 69.7 mt -131.36 130.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.8 m-20 -163.01 81.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.7 tt0 -47.4 -50.95 46.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 54.37 3.62 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 167.51 -73.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.58 -175.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 169.74 17.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.86 150.18 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 34.4 p90 -153.43 145.59 23.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 64' ' ' LEU . 82.2 p -92.23 164.17 13.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.463 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -122.08 120.39 34.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.053 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.7 -175.06 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 p 38.22 41.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.18 -82.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.8 1.44 8.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -82.99 155.71 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.1 t -122.84 137.32 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.591 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 97.5 t -128.45 120.98 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -137.0 145.81 44.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CE1' ' CD1' ' A' ' 99' ' ' LEU . 45.6 m-85 -115.14 113.3 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.686 ' C ' HD12 ' A' ' 87' ' ' LEU . 16.4 m-20 -85.4 153.87 22.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 86' ' ' ASP . 6.3 mp -138.41 140.56 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -135.27 125.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.74 113.33 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.86 -45.76 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 112.6 -171.63 14.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 51.9 25.54 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.95 30.29 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.7 mtmm -123.11 153.75 39.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.778 HG21 ' HA ' ' A' ' 20' ' ' ILE . 90.5 m -148.01 141.43 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' OE1' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -87.58 113.64 23.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 137' ' ' LEU . 1.9 t80 -99.13 127.67 45.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.3 m -133.28 107.2 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.444 ' CD1' ' CE1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -90.08 122.54 33.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 mp -118.46 128.17 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -131.15 115.6 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.34 -170.6 14.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.77 -32.03 2.25 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.593 ' HB2' HD13 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -93.33 161.61 14.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 6' ' ' THR . 2.7 mttt -119.97 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.721 ' CD2' HG23 ' A' ' 6' ' ' THR . 80.1 m80 -108.38 147.47 35.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 108' ' ' ASP . 18.4 Cg_endo -75.03 170.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 107' ' ' PRO . 11.5 t70 77.11 -56.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -58.8 128.73 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 117' ' ' LYS . 10.5 mm -81.72 156.76 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.439 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -109.18 142.7 26.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.03 175.13 11.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.86 26.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -159.75 -62.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.4 t-20 75.92 -174.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.613 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 64.71 144.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.697 ' O ' HD12 ' A' ' 121' ' ' ILE . 3.2 mttp -52.2 126.56 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.581 ' OG ' ' CE3' ' A' ' 104' ' ' TRP . 34.1 m -61.42 -51.49 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 10.1 p -44.63 -27.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.66 -50.83 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 117' ' ' LYS . 2.3 mp -53.75 -50.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -62.82 -29.7 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -39.53 65.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -74.45 -48.68 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.563 ' HG2' ' CD1' ' A' ' 129' ' ' TRP . 3.0 ttt -62.94 -43.46 98.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' ARG . 31.3 t -56.61 -52.3 65.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.35 7.19 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.04 -35.36 83.5 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 125' ' ' MET . 2.5 m95 -63.83 -43.06 97.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.4 t -58.39 -53.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -63.52 -50.87 67.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.8 mt -54.31 -47.48 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.53 -29.43 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -114.05 35.87 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.8 mm-40 -141.96 -65.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.792 ' O ' HG23 ' A' ' 140' ' ' VAL . 50.3 mtmt -86.26 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 97' ' ' PHE . 26.0 tp -37.05 -46.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -54.15 -56.8 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.22 -30.26 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 136' ' ' LYS . 51.8 t -64.34 -55.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.719 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 1.8 t -65.66 -56.82 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.01 -32.06 63.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.512 0.196 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -157.89 174.1 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -41.27 159.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.25 145.34 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -149.56 173.68 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.483 HG22 ' H ' ' A' ' 7' ' ' LEU . 1.7 m 48.97 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' H ' HG22 ' A' ' 6' ' ' THR . 15.1 mt -93.52 158.89 15.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -109.96 169.38 8.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -95.07 121.88 37.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 mt -56.88 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ASP . 8.2 ttmt -94.41 132.24 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -130.31 85.44 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.6 m -80.17 120.47 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 97' ' ' PHE . 18.0 tt -144.11 152.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' HG3' ' A' ' 96' ' ' GLU . 40.2 t -115.08 121.21 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' HG11 ' A' ' 141' ' ' VAL . 30.0 m-85 -106.71 157.06 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.4 66.19 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' ' 22' ' ' LYS . . . -155.12 176.75 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 m -96.12 160.27 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tt -54.67 -41.83 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.05 -35.74 81.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' ' 18' ' ' ALA . 2.2 ttpp -69.06 -56.38 7.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 HD21 ' A' ' 87' ' ' LEU . 74.5 t -58.93 -40.54 80.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 36.0 t-105 -57.52 -45.29 85.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -57.35 -30.72 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 ' CG1' ' A' ' 140' ' ' VAL . 93.1 t -79.13 0.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.8 m -147.61 47.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -164.6 29.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -144.84 -176.53 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -104.35 -34.11 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -40.75 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.59 -53.55 40.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -61.35 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 0.712 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -19.8 7.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.49 6.67 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 11.5 p-90 -175.25 60.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' O ' ' SD ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 176.67 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 168.48 160.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.7 177.11 11.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' PHE . 5.4 t0 -108.5 59.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 88.2 t80 -37.54 143.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 48' ' ' HIS . 3.4 p -132.54 131.95 60.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 tp -96.62 73.76 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -145.3 147.67 32.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.09 134.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.44 29.38 30.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.551 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.7 t60 -98.51 112.81 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.568 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -91.1 154.26 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -147.65 -175.25 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.57 137.58 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 53' ' ' GLN . 94.4 t -129.88 165.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' N ' HG12 ' A' ' 52' ' ' VAL . 4.2 mt-30 -116.24 129.15 56.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.61 169.91 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.54 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -93.59 -59.43 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.63 -160.88 14.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 126.25 9.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.03 96.85 11.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 167.73 26.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 94.9 m -148.51 157.54 43.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -138.64 128.1 24.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 66' ' ' ILE . 54.5 t -64.67 142.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.68 -53.48 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -135.89 156.72 48.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 63' ' ' VAL . 66.8 mt -137.11 133.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.7 m-20 -166.26 76.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.6 tt0 -44.83 -50.64 24.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -74.99 54.29 3.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.28 -71.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 178.34 -171.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 161.41 42.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 157.15 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.477 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 17.3 p90 -156.98 142.26 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.8 p -90.25 159.79 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -116.76 115.22 25.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.987 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.7 t0 -79.03 177.75 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.8 -61.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 81.7 m-20 -79.07 -70.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.76 49.5 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -126.6 158.16 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -123.46 134.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 101' ' ' HIS . 62.1 t -131.46 141.43 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.5 p -149.97 147.71 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.753 ' CE1' HD12 ' A' ' 99' ' ' LEU . 7.8 m-85 -121.11 114.37 21.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -82.72 149.87 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -133.96 128.16 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -127.26 118.82 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -71.15 111.44 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 96' ' ' GLU . 21.5 mt -97.75 -40.92 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.07 -168.85 13.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 48.95 33.89 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.96 34.35 19.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.5 mtmm -128.73 150.42 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.9 m -144.66 149.49 35.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.431 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.662 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.8 tt0 -97.99 109.25 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 85' ' ' PHE . 68.3 t80 -98.54 130.37 45.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -132.67 109.29 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' CE1' ' A' ' 85' ' ' PHE . 1.1 tt -89.91 120.66 31.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.08 130.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.479 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.1 t-160 -131.79 109.32 10.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.596 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -117.12 -172.7 16.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.28 -22.32 4.22 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.852 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -87.22 174.0 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -137.4 -86.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 140.59 23.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -6.63 18.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -45.61 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.68 125.27 25.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 116' ' ' ALA . 7.1 mm -94.06 144.84 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.852 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -76.94 160.24 76.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -79.32 -50.69 10.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 111' ' ' LEU . . . -55.36 -60.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.597 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 2.0 m-20 64.64 154.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 77.51 160.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.595 ' HB2' HD12 ' A' ' 120' ' ' ILE . 48.8 mttt -51.95 123.9 11.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.542 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 26.5 m -62.9 -45.78 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 52.4 p -49.47 -29.13 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.595 HD12 ' HB2' ' A' ' 117' ' ' LYS . 65.4 mt -79.61 -35.73 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.439 HG21 ' CH2' ' A' ' 104' ' ' TRP . 30.1 mm -66.57 -50.43 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -63.12 -25.32 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.2 -46.22 51.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.01 -49.74 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -51.13 69.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 130' ' ' VAL . 46.4 t -55.51 -48.14 75.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.92 -55.67 24.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.58 -20.99 70.48 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 133' ' ' VAL . 7.7 m95 -78.79 -37.98 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 126' ' ' SER . 43.8 t -59.11 -46.15 92.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.01 -51.36 22.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 65.6 mt -55.05 -39.02 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 129' ' ' TRP . 22.0 t -67.59 -33.21 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.69 39.24 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 5.2 mm-40 -141.35 -69.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 140' ' ' VAL . 39.3 mtmt -80.87 -68.62 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 136' ' ' LYS . 2.3 tt -38.76 -47.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 9.4 tttm -52.96 -52.09 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -68.49 -28.63 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 136' ' ' LYS . 40.9 t -69.08 -55.0 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 26' ' ' VAL . 2.2 t -71.71 -56.88 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 10.1 tt0 -54.71 -35.52 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.538 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 64.83 117.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -74.84 176.27 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.41 162.61 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -119.14 174.2 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER 59.18 175.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 104' ' ' TRP . 3.8 mt -69.15 151.81 45.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.42 149.04 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -82.45 118.24 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 122' ' ' ARG . 14.1 mt -54.51 90.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.2 ttpt -98.35 128.48 44.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.606 HE22 ' N ' ' A' ' 130' ' ' VAL . 7.3 mt-30 -124.87 87.07 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m -84.47 122.11 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' HZ1' ' A' ' 138' ' ' LYS . 18.0 tt -149.46 153.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 96' ' ' GLU . 45.4 t -113.08 121.84 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 141' ' ' VAL . 33.8 m-85 -106.84 141.8 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -72.64 62.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -150.54 -171.7 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -111.14 161.63 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.3 -41.34 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -65.49 -30.28 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.02 -54.46 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.814 HG12 HD21 ' A' ' 87' ' ' LEU . 24.3 t -55.78 -36.31 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t-105 -61.06 -46.68 89.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -56.6 -31.14 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.61 HG13 HG11 ' A' ' 140' ' ' VAL . 55.6 t -77.84 -7.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.552 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 17.8 m -135.42 43.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -165.93 34.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 p -141.27 168.3 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.78 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -37.95 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.78 -52.76 40.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.25 -51.85 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.787 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.06 -20.69 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.49 -7.37 52.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 12.7 p-90 -168.68 65.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 107.949 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' MET . 42.8 t80 -179.11 -67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.452 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER 164.38 167.36 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.694 ' CB ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -165.61 177.94 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.8 t70 -117.14 64.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' ASP . 69.4 t80 -37.45 156.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.976 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.6 p -148.55 118.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.06 78.97 9.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 6.4 mt-10 -155.18 138.92 16.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG23 HD12 ' A' ' 66' ' ' ILE . 78.6 t -74.2 131.07 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.56 10.02 74.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.976 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.8 t60 -87.28 115.53 24.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.96 136.8 42.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 43' ' ' VAL . 1.1 p90 -133.97 -172.56 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.06 142.12 47.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.592 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' CB ' ' A' ' 40' ' ' ASN . 15.3 m -140.05 134.71 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -73.71 104.56 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.13 165.85 15.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -88.8 48.57 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.26 -172.06 37.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -137.5 96.29 10.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.999 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 1.4 p -149.41 156.58 42.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -132.25 131.1 41.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 66' ' ' ILE . 99.0 t -66.51 134.31 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 75' ' ' SER . 36.5 mt -98.06 -52.64 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -134.48 150.15 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 63' ' ' VAL . 88.6 mt -134.96 127.69 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.1 m-20 -158.24 82.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 tt0 -46.47 -52.45 29.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.21 3.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 169.03 -74.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.1 p-80 177.43 -177.95 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.549 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -141.26 170.58 15.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.54 150.67 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.4 p90 -153.46 141.32 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 64' ' ' LEU . 88.7 p -94.34 143.1 26.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.423 ' CZ2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -100.63 114.65 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 107.991 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -75.54 -179.2 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 m 38.25 45.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -170.03 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.8 43.43 1.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -128.42 162.52 26.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 t -136.29 133.24 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.587 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 72.4 t -129.97 130.05 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -139.96 135.24 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 99' ' ' LEU . 44.4 m-85 -103.25 112.76 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' C ' HD12 ' A' ' 87' ' ' LEU . 2.2 m-20 -85.13 150.93 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 23' ' ' VAL . 6.4 mp -136.74 138.17 40.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -134.0 130.12 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.47 118.14 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 96' ' ' GLU . 11.7 mt -108.99 -40.63 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 110.32 -167.7 12.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 47.87 34.88 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.7 m120 59.81 36.37 22.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' GLY . 8.2 mtmm -129.93 146.95 51.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -143.33 138.3 29.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.532 ' HB2' HD11 ' A' ' 90' ' ' LEU . 4.6 tt0 -85.21 109.26 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.41 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.4 t80 -96.73 128.02 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.804 HG22 HD11 ' A' ' 100' ' ' ILE . 50.1 m -133.18 106.81 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -90.67 122.13 33.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.804 HD11 HG22 ' A' ' 98' ' ' THR . 3.0 mp -118.31 130.05 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -132.98 107.48 8.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.33 -161.32 11.32 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.58 -42.68 1.4 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.646 ' HB2' HD13 ' A' ' 7' ' ' LEU . 3.6 m95 -65.51 179.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.715 ' O ' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -130.35 -73.02 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 145.72 32.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.94 20.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -52.38 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.56 140.4 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 116' ' ' ALA . 5.3 mm -101.22 161.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -103.55 145.68 31.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.4 Cg_endo -74.97 -49.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.71 49.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -176.62 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.6 t30 78.9 179.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 62.58 148.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -51.25 130.49 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.7 m -59.78 -50.76 72.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.464 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 78.0 p -45.61 -33.94 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 73.3 mt -79.24 -37.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.503 HG21 ' CH2' ' A' ' 104' ' ' TRP . 35.4 mm -67.79 -50.37 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.99 -25.74 68.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -73.16 -59.09 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -55.21 -41.43 72.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 2.4 tpt -69.15 -48.34 62.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 130' ' ' VAL . 34.6 t -58.73 -47.95 82.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.23 -51.04 27.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.404 ' O ' ' CG1' ' A' ' 132' ' ' ILE . . . -67.36 -32.0 78.39 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.687 ' O ' HG23 ' A' ' 133' ' ' VAL . 11.7 m95 -65.91 -42.14 90.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.606 ' N ' HE22 ' A' ' 12' ' ' GLN . 76.4 t -59.71 -50.77 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -65.68 -51.95 55.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.404 ' CG1' ' O ' ' A' ' 128' ' ' GLY . 65.7 mt -55.65 -39.05 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 129' ' ' TRP . 13.4 t -66.77 -31.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 133' ' ' VAL . 3.1 m-80 -115.64 38.34 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.5 mm-40 -142.06 -62.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 137' ' ' LEU . 9.4 mtmm -91.37 -69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 137' ' ' LEU . 1.6 tt -35.61 -56.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.511 ' HZ1' HD11 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -48.66 -55.84 10.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -60.29 -37.34 80.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.61 HG11 HG13 ' A' ' 26' ' ' VAL . 63.7 t -62.59 -55.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -63.68 -57.14 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -20.94 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.513 0.197 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.61 175.57 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 78.38 174.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.69 172.76 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.26 168.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.963 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER 59.67 173.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 107' ' ' PRO . 28.1 mt -77.67 161.57 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.69 177.11 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.88 128.98 35.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 122' ' ' ARG . 6.4 mt -59.91 95.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -94.92 131.65 40.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.636 HE22 ' N ' ' A' ' 130' ' ' VAL . 20.6 mt-30 -130.25 91.31 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.485 ' OG1' HG23 ' A' ' 98' ' ' THR . 83.1 m -90.95 122.49 33.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.1 tt -144.77 151.37 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.09 136.77 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 137' ' ' LEU . 44.3 m-85 -124.92 160.54 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -89.05 64.07 6.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.38 -178.0 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.67 149.55 26.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.871 HG23 HE21 ' A' ' 21' ' ' GLN . 1.5 tt -45.14 -42.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.871 HE21 HG23 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -59.29 -47.48 85.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HZ1' HG22 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -60.16 -56.01 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 27' ' ' VAL . 95.0 t -54.47 -37.6 38.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 33.0 t-105 -60.99 -45.89 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -58.43 -31.03 67.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.7 HG13 HG11 ' A' ' 140' ' ' VAL . 77.7 t -76.25 -5.85 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 23' ' ' VAL . 18.6 m -142.01 44.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -165.92 30.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 5.3 p -138.07 -176.23 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.377 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' PHE . . . -104.16 -38.75 6.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -43.5 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.2 37.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 42' ' ' PHE . 36.1 mt -58.71 -47.37 89.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.26 -20.27 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -8.83 57.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.708 ' CE2' HD23 ' A' ' 137' ' ' LEU . 12.9 p-90 -171.27 65.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 33' ' ' ILE . 12.7 t80 -178.89 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 165.72 163.78 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.57 8.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.697 ' CB ' HG12 ' A' ' 52' ' ' VAL . 8.8 p30 -168.24 -179.2 3.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' PHE . 3.1 m-20 -118.08 66.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' CD1' HD12 ' A' ' 33' ' ' ILE . 64.9 t80 -37.64 156.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.955 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.8 p -146.58 127.11 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 44' ' ' LEU . 10.2 tp -94.05 64.7 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 1.7 mt-10 -142.85 139.2 30.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG23 HD12 ' A' ' 66' ' ' ILE . 75.9 t -69.5 136.36 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 23.52 48.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.955 ' CD2' HG21 ' A' ' 43' ' ' VAL . 3.5 t60 -101.9 62.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.639 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.31 145.48 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD1' HG12 ' A' ' 43' ' ' VAL . 2.0 p90 -132.76 -172.17 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 146.16 49.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 40' ' ' ASN . 14.5 m -123.81 169.26 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.0 109.72 13.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.43 156.97 57.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.55 16.74 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 56' ' ' PHE . 5.0 t80 -86.93 -37.2 17.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.3 162.81 14.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 130.67 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.483 ' O ' HG22 ' A' ' 52' ' ' VAL . 9.2 m -137.19 96.67 11.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.2 Cg_endo -75.01 133.59 16.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.544 1.813 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 11.1 m -104.28 167.12 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -142.75 113.72 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.451 HG11 ' CG1' ' A' ' 66' ' ' ILE . 85.9 t -56.01 124.84 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.79 -57.21 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -133.28 150.66 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.661 HD12 HG23 ' A' ' 46' ' ' VAL . 69.9 mt -126.6 124.61 65.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.5 m-20 -159.41 75.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.03 -52.18 20.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.97 54.07 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.3 p-80 178.86 -171.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.634 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -156.03 164.33 38.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.16 156.39 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 27.1 p90 -157.11 143.81 18.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 82' ' ' VAL . 2.4 p -89.56 137.4 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -103.77 131.38 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 107.956 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -78.87 177.0 9.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.402 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 70.3 p 47.98 23.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER 172.87 102.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.3 -19.07 3.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.821 ' NE1' HD22 ' A' ' 111' ' ' LEU . 1.2 m0 -54.13 119.32 4.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.2 t -93.91 158.53 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 48.8 t -132.52 128.25 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -136.59 137.86 40.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.12 112.7 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.427 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.98 155.76 19.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.427 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.2 mp -135.98 142.92 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -138.14 121.62 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.54 121.55 23.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 96' ' ' GLU . 22.3 mt -110.05 -43.55 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 109.01 -169.47 13.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 51.28 28.36 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.76 30.82 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 91' ' ' GLY . 4.9 mtmm -124.14 150.02 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.77 HG21 ' HA ' ' A' ' 20' ' ' ILE . 80.5 m -143.13 147.07 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.69 ' HG3' HD11 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -99.21 101.46 12.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -87.15 125.32 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.77 HG22 HD11 ' A' ' 100' ' ' ILE . 87.3 m -127.74 105.62 8.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -89.75 134.02 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.77 HD11 HG22 ' A' ' 98' ' ' THR . 1.9 mp -128.97 123.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -132.0 108.96 9.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.12 -156.49 10.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.43 -33.32 3.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CH2' ' NE1' ' A' ' 81' ' ' TRP . 1.4 m95 -84.71 173.77 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.963 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -141.33 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.484 ' CD2' ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -104.4 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 106' ' ' HIS . 18.2 Cg_endo -74.96 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -40.25 8.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 110' ' ' ILE . 1.6 pt-20 -61.11 166.74 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 116' ' ' ALA . 4.6 mm -138.06 130.41 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.821 HD22 ' NE1' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -78.74 146.61 69.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 114' ' ' ALA . 18.2 Cg_endo -75.03 170.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.68 -62.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' PRO . . . -74.87 -50.34 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.672 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 20.2 m-20 62.56 178.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.856 ' O ' HG23 ' A' ' 110' ' ' ILE . . . 82.22 157.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.7 mttm -50.83 132.27 26.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 82.6 p -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.4 p -66.86 -44.17 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.52 -45.08 97.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.1 mm -67.61 -46.93 81.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.621 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.71 -42.76 62.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.092 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.17 -54.3 31.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -49.99 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -52.91 63.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.4 t -53.35 -49.87 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -49.64 -60.14 6.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.26 -29.65 60.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.2 m95 -72.03 -43.32 65.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.636 ' N ' HE22 ' A' ' 12' ' ' GLN . 8.1 t -60.2 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -72.29 -51.74 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.7 mt -55.99 -36.52 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 129' ' ' TRP . 17.8 t -67.95 -34.36 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -113.83 40.8 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.0 mm-40 -141.54 -65.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 140' ' ' VAL . 32.9 mtmt -92.53 -64.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.708 HD23 ' CE2' ' A' ' 36' ' ' TRP . 2.4 tm? -39.42 -47.7 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -56.95 14.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -59.88 -32.59 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 136' ' ' LYS . 49.7 t -63.58 -54.94 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.511 HG22 ' HZ1' ' A' ' 22' ' ' LYS . 2.7 t -69.71 -57.09 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -32.15 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.526 0.203 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' GLN . 4.4 mt-10 -132.39 -174.84 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.48 94.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' GLU . 1.9 tt0 -169.93 -148.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -53.55 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.712 HG23 ' CD2' ' A' ' 106' ' ' HIS . 0.7 OUTLIER 68.46 176.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' A' ' 104' ' ' TRP . 38.0 mt -93.82 130.42 39.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -104.28 -174.09 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.1 m-20 -95.5 116.22 28.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 122' ' ' ARG . 23.4 mt -43.68 97.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.6 ttmm -96.3 127.63 42.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.861 ' OE1' HG22 ' A' ' 130' ' ' VAL . 3.2 mt-30 -128.48 83.24 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -83.6 121.65 27.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -149.93 151.05 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -109.82 125.28 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -112.9 159.27 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.36 69.39 9.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 22' ' ' LYS . . . -155.02 179.86 8.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -105.68 153.9 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 tt -49.1 -36.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -69.9 -39.22 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.69 ' NZ ' HG22 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -66.41 -57.43 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -55.6 -35.57 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.63 ' HA ' HG22 ' A' ' 27' ' ' VAL . 48.3 t-105 -67.13 -45.93 75.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -56.99 -34.7 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.32 -14.22 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 24' ' ' TRP . 7.6 m -127.76 41.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.4 p -167.25 36.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 p -146.61 172.61 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 -44.71 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -42.2 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -45.79 78.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 37' ' ' PHE . 51.4 mt -70.34 -52.92 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' MET . . . -57.23 -19.28 20.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.21 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' PHE . 2.0 p-90 -152.55 -68.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.014 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.522 ' CB ' HG23 ' A' ' 33' ' ' ILE . 1.2 t80 -34.23 -69.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 163.83 158.54 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.44 13.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.568 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.1 OUTLIER -172.98 -172.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.28 61.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 33' ' ' ILE . 89.0 t80 -49.52 136.8 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.422 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -128.76 133.36 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -94.47 75.86 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CG2' ' A' ' 43' ' ' VAL . 1.3 mp0 -148.48 134.26 18.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.19 137.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.66 25.45 51.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -102.07 97.98 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.609 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.33 149.97 28.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.6 p90 -145.23 -175.66 4.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.58 145.06 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 40' ' ' ASN . 69.1 t -137.74 161.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' N ' HG12 ' A' ' 52' ' ' VAL . 69.8 mt-30 -107.57 133.73 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.25 163.85 39.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.34 20.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.66 -57.78 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.0 -163.42 21.92 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.3 3.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.9 96.89 28.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 63.5 m -147.93 157.98 43.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.38 122.51 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.17 148.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 mt -107.83 -56.12 2.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.77 149.32 51.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.1 mt -124.8 127.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' HIS . 8.8 m-20 -162.33 77.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.2 tt0 -46.26 -50.84 36.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.26 -72.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.8 p-80 176.15 -173.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -148.92 162.52 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.1 150.23 52.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 46.0 p90 -154.86 146.64 23.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -94.12 165.94 12.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -118.83 112.94 20.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 60' ' ' PRO . 0.8 OUTLIER -64.46 173.3 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m 38.33 40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.448 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -163.18 -66.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.21 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.561 ' HE1' ' HB2' ' A' ' 114' ' ' ALA . 8.1 m0 -100.75 160.11 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 11.1 t -132.69 126.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 74' ' ' PHE . 92.0 t -123.17 127.78 74.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t -134.15 129.86 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.493 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 m-85 -103.69 113.04 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.37 157.32 26.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 23' ' ' VAL . 4.8 mp -143.94 130.3 19.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -129.05 127.3 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -75.84 105.59 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.66 -49.28 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 115.66 -171.75 13.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 47.98 35.58 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.54 36.45 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' GLY . 5.7 mtmm -132.64 146.84 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.06 144.81 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.18 112.97 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CZ ' HD11 ' A' ' 137' ' ' LEU . 6.5 t80 -98.77 123.12 42.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.573 HG22 HD11 ' A' ' 100' ' ' ILE . 41.5 m -130.26 112.02 12.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.438 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 tt -88.72 115.4 26.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.573 HD11 HG22 ' A' ' 98' ' ' THR . 12.8 mm -109.77 110.43 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.511 ' CG ' HG22 ' A' ' 83' ' ' VAL . 6.9 t-160 -131.88 118.3 19.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.63 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.9 -153.13 7.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.83 -50.19 0.89 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.888 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 2.1 m95 -66.14 178.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 6' ' ' THR . 12.1 mttt -139.58 -80.21 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.712 ' CD2' HG23 ' A' ' 6' ' ' THR . 1.3 m170 -102.98 134.75 19.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.496 ' HB3' HD21 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 95.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.44 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 142.92 57.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.3 mm -96.31 160.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.888 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -98.18 157.81 33.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.645 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.4 Cg_endo -74.96 -51.81 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -84.92 -52.07 6.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.774 ' HB3' ' CB ' ' A' ' 111' ' ' LEU . . . -48.05 -62.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 1.1 t30 72.87 157.78 0.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 71.97 163.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.46 124.28 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.607 ' CB ' ' CE3' ' A' ' 104' ' ' TRP . 3.2 p -60.37 -20.68 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.1 p -77.53 -42.14 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.9 mt -61.19 -46.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.55 -48.65 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.578 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -55.37 -41.47 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.38 -52.15 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -47.66 75.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.456 ' HG3' ' CD1' ' A' ' 129' ' ' TRP . 0.4 OUTLIER -69.28 -53.07 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.737 ' O ' HG23 ' A' ' 130' ' ' VAL . 40.7 t -54.55 -52.58 61.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.16 -54.06 41.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.39 -26.3 66.11 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.456 ' CD1' ' HG3' ' A' ' 125' ' ' MET . 6.3 m95 -75.91 -40.57 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.861 HG22 ' OE1' ' A' ' 12' ' ' GLN . 68.7 t -57.29 -46.52 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -67.59 -51.26 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -54.86 -43.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.9 t -64.84 -29.59 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.8 37.84 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 4.4 mm-40 -141.67 -71.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.749 ' O ' HG23 ' A' ' 140' ' ' VAL . 10.4 mtmt -83.86 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.542 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 1.2 tt -38.56 -48.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -51.1 -51.87 49.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -68.88 -33.99 74.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 136' ' ' LYS . 42.1 t -62.19 -52.4 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.69 HG22 ' NZ ' ' A' ' 22' ' ' LYS . 2.0 t -68.9 -57.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -34.9 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.491 0.186 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.03 119.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -119.85 133.91 55.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ASN . 3.3 tt0 -177.07 149.04 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 33.8 m-20 -176.35 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.33 154.49 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.599 HD11 ' OG ' ' A' ' 118' ' ' SER . 19.8 mt -70.3 144.91 51.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -98.22 156.43 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 132.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.22 84.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -85.54 134.58 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.497 HE22 ' N ' ' A' ' 130' ' ' VAL . 45.5 mt-30 -131.27 90.85 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.7 m -88.76 119.0 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.441 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 10.1 tt -146.26 154.37 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.08 121.11 64.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HG11 ' A' ' 141' ' ' VAL . 40.9 m-85 -108.86 153.59 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -84.16 76.1 10.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -163.05 174.5 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.6 m -95.55 156.12 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.573 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.0 OUTLIER -54.61 -39.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -67.69 -33.75 75.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.546 ' HB3' ' HZ3' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -70.86 -57.53 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.7 t -55.22 -35.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' HZ2' HD21 ' A' ' 44' ' ' LEU . 28.3 t-105 -59.05 -46.11 89.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 t -57.87 -30.96 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG13 HG11 ' A' ' 140' ' ' VAL . 79.2 t -76.07 -10.45 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.655 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 26.3 m -132.21 48.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.3 p -157.25 -44.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -71.01 159.66 34.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . . . -86.32 -41.61 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -51.1 53.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.72 -52.39 52.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 50.8 mt -58.97 -45.98 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.26 27.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 13.14 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.655 ' HZ2' HG12 ' A' ' 27' ' ' VAL . 7.6 p-90 -174.9 47.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -171.68 -72.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 53' ' ' GLN . 1.8 mtm 175.45 163.22 0.41 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.457 ' OD1' HG13 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -164.76 -175.19 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -120.45 62.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.505 ' CD2' HD12 ' A' ' 33' ' ' ILE . 14.4 t80 -36.52 152.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.594 HG12 ' CD1' ' A' ' 50' ' ' PHE . 2.6 p -141.01 132.64 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.502 HD21 ' HZ2' ' A' ' 24' ' ' TRP . 7.8 tp -98.17 78.63 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 5.5 mt-10 -151.95 137.72 17.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 66' ' ' ILE . 65.7 t -74.88 129.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.65 89.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.507 ' CD2' HG11 ' A' ' 43' ' ' VAL . 2.4 t60 -92.16 146.22 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.88 155.1 51.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -142.05 -176.11 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.98 148.95 39.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG13 ' OD1' ' A' ' 40' ' ' ASN . 15.1 t -126.78 161.73 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 38' ' ' MET . 5.8 tp-100 -101.71 90.25 3.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.63 158.91 31.67 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.94 19.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -116.11 59.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.33 172.94 48.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.7 t -111.5 97.42 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 95.1 m -147.63 158.56 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -137.25 118.47 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.915 HG11 HD11 ' A' ' 66' ' ' ILE . 99.5 t -58.16 127.83 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -90.94 -56.28 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.42 149.55 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 HG11 ' A' ' 63' ' ' VAL . 15.3 mt -132.14 121.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -154.91 77.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 1.4 tt0 -44.82 -50.69 24.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.02 54.54 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.2 -73.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 179.31 -171.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -154.88 159.92 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.56 156.27 45.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 9.0 p90 -155.08 143.32 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 82' ' ' VAL . 94.5 p -93.22 167.68 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.455 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -123.83 119.19 28.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.21 171.84 13.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.8 p 44.7 27.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.69 -56.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.02 -19.47 54.66 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -59.38 145.91 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 75' ' ' SER . 2.4 t -120.37 143.87 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 25.4 t -136.76 137.51 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.1 t -146.47 145.71 30.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HE1' HD13 ' A' ' 99' ' ' LEU . 20.7 m-85 -121.8 112.95 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 155.97 22.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.36 135.29 38.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -132.44 124.08 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.25 114.7 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 mt -100.18 -42.86 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 114.25 -174.41 15.52 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 53.03 25.11 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 72.88 26.67 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' GLY . 7.3 mtmt -119.52 145.79 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 20' ' ' ILE . 2.5 m -141.73 141.15 33.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -83.98 120.23 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 137' ' ' LEU . 2.0 t80 -106.27 127.24 53.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 100' ' ' ILE . 21.6 m -133.01 109.08 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.621 HD23 HG21 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -94.94 131.48 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.567 HD11 HG22 ' A' ' 98' ' ' THR . 4.2 mp -130.7 129.97 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.472 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.2 OUTLIER -130.45 113.85 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.08 179.24 16.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.34 -19.18 1.18 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.713 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 1.2 m95 -92.94 -165.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -160.73 -60.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -113.07 140.08 23.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.591 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.1 Cg_endo -75.0 -25.86 11.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -56.22 7.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.94 147.74 27.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 117' ' ' LYS . 3.2 mt -118.82 161.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.713 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 2.6 mp -87.21 158.55 52.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -69.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -41.01 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.9 t-20 79.14 -179.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.32 146.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG2' HD11 ' A' ' 110' ' ' ILE . 23.5 mttm -50.86 123.05 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.599 ' OG ' HD11 ' A' ' 7' ' ' LEU . 80.4 p -46.8 -37.83 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -54.98 -35.1 63.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.43 -50.94 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.04 -47.76 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -55.49 -48.11 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -63.28 -55.26 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.39 -51.36 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -32.2 73.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' ARG . 14.8 t -59.64 -53.2 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.7 27.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -50.91 -30.69 22.94 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 133' ' ' VAL . 8.0 m95 -78.57 -41.92 30.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.497 ' N ' HE22 ' A' ' 12' ' ' GLN . 13.0 t -60.63 -41.72 89.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -73.45 -51.58 16.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.44 -37.73 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 129' ' ' TRP . 24.1 t -67.84 -30.83 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -115.27 38.55 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.7 mm-40 -141.47 -71.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.834 ' O ' HG23 ' A' ' 140' ' ' VAL . 23.7 mtmt -79.47 -70.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 97' ' ' PHE . 10.1 tt -39.32 -51.43 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -49.12 -56.06 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 143' ' ' GLY . 3.0 mtpt -64.01 -32.05 73.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 136' ' ' LYS . 52.1 t -64.51 -54.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.1 t -65.62 -57.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -35.17 66.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.51 0.195 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.82 71.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -160.6 175.44 12.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.72 146.4 50.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -107.67 175.65 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' ASN . 23.8 p 46.39 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.89 115.65 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -47.81 153.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -86.68 128.03 34.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.551 HD11 ' CB ' ' A' ' 122' ' ' ARG . 57.4 mt -63.48 82.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' ASP . 29.1 ttmt -87.7 135.01 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -131.29 86.55 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -83.06 122.97 29.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tt -151.24 154.3 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG12 ' HE2' ' A' ' 94' ' ' LYS . 84.2 t -112.29 124.02 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HB3' HG11 ' A' ' 141' ' ' VAL . 12.7 m-85 -105.91 154.54 20.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.66 78.85 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.632 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -171.73 -175.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -104.61 154.07 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HA ' HG21 ' A' ' 95' ' ' THR . 4.5 tt -50.29 -42.94 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -56.62 -45.28 81.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -69.4 -53.71 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG12 HD21 ' A' ' 87' ' ' LEU . 87.2 t -55.19 -36.55 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 16.3 t-105 -67.01 -49.28 65.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.5 -31.2 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.614 HG13 HG11 ' A' ' 140' ' ' VAL . 16.8 t -75.11 -5.74 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 24' ' ' TRP . 28.2 m -138.13 41.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.6 p -161.33 27.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 33' ' ' ILE . 11.9 p -138.13 173.83 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.97 -43.82 11.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -42.06 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.4 -51.86 44.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 29' ' ' THR . 77.8 mt -62.58 -55.06 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.799 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.35 -21.89 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -7.82 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.573 ' CH2' HD22 ' A' ' 137' ' ' LEU . 16.0 p-90 -172.11 65.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' CZ2' ' A' ' 76' ' ' TRP . 72.5 t80 178.43 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.431 ' N ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 177.37 152.54 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 53' ' ' GLN . 18.2 Cg_endo -74.95 128.68 11.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.2 OUTLIER -173.32 178.82 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.05 78.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.3 154.08 14.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.611 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -147.01 134.73 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.8 tp -96.96 70.54 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' HIS . 1.1 mm-40 -138.51 141.54 39.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.44 133.99 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 24.07 56.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.611 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.3 t60 -93.88 113.95 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.786 . . . . 0.0 109.609 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.09 144.69 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -141.09 -173.81 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 145.0 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 40' ' ' ASN . 47.9 t -142.82 152.79 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -100.47 138.71 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.01 161.7 61.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.4 18.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -131.36 53.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.17 177.7 46.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.4 12.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -137.19 96.93 11.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 50' ' ' PHE . 9.7 p -160.48 159.93 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -136.23 125.21 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.58 138.87 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -99.34 -56.52 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.24 150.59 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.0 mt -130.36 123.35 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' HIS . 1.2 m-20 -154.98 77.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -44.91 -52.01 20.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.4 Cg_endo -75.0 54.03 3.52 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.26 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' ASP . 2.0 p-80 177.44 -171.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.57 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -151.42 165.96 32.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.18 154.98 49.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 38.0 p90 -154.81 147.35 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -97.05 136.92 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.515 ' CZ2' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -98.56 115.93 29.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.91 171.83 14.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.4 ' O ' ' OD2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 58.14 40.99 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.404 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -178.68 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.13 40.37 5.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -118.17 161.46 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 3.9 t -131.59 137.64 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 39.1 t -135.71 131.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -141.74 138.19 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 27.3 m-85 -106.75 112.91 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.2 156.58 23.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 23' ' ' VAL . 4.9 mp -143.71 131.45 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 95' ' ' THR . 9.1 ttmm -128.91 122.12 29.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.25 120.45 15.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 96' ' ' GLU . 24.0 mt -110.76 -39.23 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 103.77 -168.09 16.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.68 34.66 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ALA . 9.9 m-80 60.72 37.5 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HE2' HG12 ' A' ' 15' ' ' VAL . 10.6 mttt -133.4 150.67 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 20' ' ' ILE . 92.0 m -149.91 147.77 28.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' A' ' 90' ' ' LEU . 3.9 tt0 -93.54 126.16 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 1.9 t80 -115.65 128.88 56.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.5 m -131.11 105.26 7.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 tp -88.73 125.58 34.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.25 127.57 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 2.4 t-160 -129.29 113.82 15.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -137.44 -166.41 10.74 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.148 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.69 -34.31 2.04 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.745 ' CE3' HD13 ' A' ' 111' ' ' LEU . 7.1 m95 -57.83 176.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -123.38 -49.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 149.81 25.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.564 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.63 15.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.48 -47.28 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.54 166.77 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.65 154.49 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.745 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -82.1 136.6 46.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.95 -48.93 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 0.8 OUTLIER -80.58 54.24 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . 176.82 -73.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 8.4 t30 82.33 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 115' ' ' ASN . . . 175.59 133.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -51.23 118.25 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 t -47.68 -53.97 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 122' ' ' ARG . 1.1 p -43.42 -34.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.8 mt -79.2 -48.03 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.7 mm -58.93 -50.16 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.551 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -64.86 -25.16 67.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -42.96 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -50.35 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -43.75 82.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 130' ' ' VAL . 16.2 t -59.09 -53.13 61.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -51.21 -45.17 52.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -71.36 -38.65 62.44 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.679 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.2 m95 -66.76 -38.25 86.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 126' ' ' SER . 87.2 t -57.99 -55.03 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -64.5 -51.25 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.69 -36.11 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 129' ' ' TRP . 19.7 t -73.89 -29.02 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -115.61 36.99 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 2.8 mm-40 -140.58 -79.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 139' ' ' LYS . 0.8 OUTLIER -72.31 -69.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.573 HD22 ' CH2' ' A' ' 36' ' ' TRP . 24.9 tp -36.6 -52.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 142' ' ' GLU . 1.7 tppt? -50.64 -52.69 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -65.26 -37.07 86.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.614 HG11 HG13 ' A' ' 26' ' ' VAL . 53.3 t -57.87 -55.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 16' ' ' PHE . 1.4 t -72.08 -57.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -49.62 -36.94 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.513 0.197 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.91 171.62 15.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 72.12 161.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.8 tp60 -63.9 -149.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 4' ' ' GLN . 4.2 m-20 82.14 145.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.32 170.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 107' ' ' PRO . 26.4 mt -108.89 171.08 7.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -121.93 176.0 6.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -89.64 129.57 36.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.716 HD11 ' HG2' ' A' ' 122' ' ' ARG . 8.8 mt -60.45 83.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ASP . 7.9 tttt -89.43 144.83 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 33.1 mt-30 -145.81 95.56 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -90.71 122.06 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.11 154.56 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -112.87 126.92 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 141' ' ' VAL . 20.6 m-85 -116.55 149.81 39.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -79.65 77.35 6.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.673 ' HB1' ' HE2' ' A' ' 22' ' ' LYS . . . -163.85 -172.92 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -110.38 164.01 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 89' ' ' ASP . 2.2 tt -62.35 -37.73 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -67.94 -30.32 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.673 ' HE2' ' HB1' ' A' ' 18' ' ' ALA . 9.5 ttpt -78.49 -58.1 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.557 HG12 HD21 ' A' ' 87' ' ' LEU . 70.1 t -50.98 -36.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 35.3 t-105 -57.52 -43.75 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' THR . 0.9 OUTLIER -57.08 -35.9 69.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.832 HG22 HG12 ' A' ' 140' ' ' VAL . 45.9 t -71.32 -16.91 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 87' ' ' LEU . 27.7 m -126.37 38.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.6 p -165.21 31.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 4.7 p -130.04 155.76 45.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.6 -45.81 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -41.8 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.84 -52.92 45.5 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.56 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 16.2 mt -58.81 -46.57 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.21 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.57 14.96 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.655 ' CH2' HD23 ' A' ' 137' ' ' LEU . 5.5 p-90 -177.4 45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.025 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.408 ' O ' ' SD ' ' A' ' 38' ' ' MET . 82.6 t80 -170.96 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER 167.7 165.68 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.06 5.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -161.64 -171.77 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -123.67 67.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -39.41 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.735 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.7 p -150.64 113.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.45 74.03 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -152.15 128.36 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 66' ' ' ILE . 71.8 t -62.21 132.49 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.25 1.71 90.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.735 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.4 t60 -98.24 140.02 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.07 160.33 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 61' ' ' CYS . 1.7 p90 -136.74 135.51 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -81.99 144.01 31.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 53' ' ' GLN . 3.5 p -133.45 166.65 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.527 ' N ' HG22 ' A' ' 52' ' ' VAL . 28.1 mt-30 -116.14 90.68 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -91.77 156.8 42.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.23 18.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -117.29 51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.89 169.74 41.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.25 6.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 4.0 m -136.99 97.47 10.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.71 3.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 57.6 m -146.21 145.6 30.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.62 123.35 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.95 137.59 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 75' ' ' SER . 86.5 mt -102.28 -56.9 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -134.41 157.23 46.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.724 HD12 HG23 ' A' ' 46' ' ' VAL . 82.7 mt -133.99 131.68 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' HIS . 2.0 m-20 -166.79 77.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 2.4 tt0 -46.74 -50.75 41.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -74.99 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.81 -72.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' ASP . 1.9 p-80 177.37 -171.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.16 169.74 20.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.37 150.6 40.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 83' ' ' VAL . 29.7 p90 -155.06 145.11 21.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 64' ' ' LEU . 92.5 p -97.35 151.56 19.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -100.45 114.06 27.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 107.974 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 49.9 m-20 -70.76 178.17 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.1 m 38.11 34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -163.7 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.08 38.61 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 76' ' ' TRP . 10.8 m0 -110.69 143.59 40.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 6.0 t -118.79 129.15 75.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 101' ' ' HIS . 52.6 t -129.01 127.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.6 p -135.87 129.12 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 99' ' ' LEU . 10.6 m-85 -108.06 114.14 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.47 157.62 27.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 27' ' ' VAL . 3.8 mp -141.81 118.94 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 95' ' ' THR . 3.9 ttpt -119.08 130.47 55.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.482 ' HB2' HG21 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -81.85 101.26 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 96' ' ' GLU . 39.8 mt -83.67 -44.35 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 111.42 -171.36 14.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 48.62 36.04 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 6.9 m-80 61.53 36.24 17.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.5 mtmt -133.06 144.36 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 88' ' ' LYS . 2.7 m -141.29 141.78 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' CB ' HD11 ' A' ' 90' ' ' LEU . 1.6 tt0 -86.4 111.29 20.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -97.6 119.11 35.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.714 HG22 HD11 ' A' ' 100' ' ' ILE . 86.6 m -125.14 105.37 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 98' ' ' THR . 2.7 mp -128.38 129.27 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -130.87 106.74 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.568 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -108.36 -166.73 21.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.24 -29.44 3.05 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.872 ' CE3' HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -95.16 168.71 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -135.86 -70.16 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -98.05 148.42 34.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.704 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.03 -38.8 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.12 -39.0 89.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -58.15 146.46 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 111' ' ' LEU . 20.1 mm -120.25 167.3 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.872 HD13 ' CE3' ' A' ' 104' ' ' TRP . 1.4 mp -115.89 148.81 42.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.43 1.753 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -89.51 44.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -165.68 -53.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.575 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 9.5 m120 62.2 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 115' ' ' ASN . . . 75.35 155.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.448 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mttp -50.32 117.05 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.425 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 7.6 p -46.75 -29.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 p -68.21 -38.82 82.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.9 mt -61.25 -48.87 86.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.2 mm -63.17 -45.91 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.716 ' HG2' HD11 ' A' ' 10' ' ' ILE . 3.8 ttp180 -57.3 -49.09 77.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -65.04 -51.63 60.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -52.15 60.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.66 -46.45 89.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.561 ' O ' HG23 ' A' ' 130' ' ' VAL . 42.8 t -58.62 -48.59 80.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.57 -62.14 5.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.63 -27.49 68.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -70.2 -41.25 73.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' SER . 47.5 t -58.11 -53.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 135' ' ' GLU . . . -61.9 -52.24 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.11 -40.9 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.08 -31.68 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -116.0 41.24 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 131' ' ' ALA . 1.1 mm-40 -144.42 -53.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 140' ' ' VAL . 24.7 mtmt -105.07 -57.43 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.655 HD23 ' CH2' ' A' ' 36' ' ' TRP . 1.1 tm? -38.19 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.88 -54.53 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.6 OUTLIER -47.41 -46.32 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.832 HG12 HG22 ' A' ' 26' ' ' VAL . 55.7 t -59.34 -55.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -55.96 -57.23 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.65 -36.16 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.542 0.21 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -175.96 65.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 56.91 166.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -136.26 167.22 21.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.55 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 2.8 t-20 -102.05 -0.7 33.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -123.99 151.99 43.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.25 120.13 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -52.14 163.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -97.13 139.02 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 122' ' ' ARG . 73.7 mt -70.49 88.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -84.9 152.57 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.551 HE22 ' N ' ' A' ' 130' ' ' VAL . 61.1 mt-30 -153.15 78.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 m -79.38 119.43 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 tt -148.18 152.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 96' ' ' GLU . 41.4 t -110.88 131.57 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HB3' HG11 ' A' ' 141' ' ' VAL . 16.0 m-85 -112.9 153.32 28.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -84.59 64.73 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' CA ' ' A' ' 94' ' ' LYS . . . -155.22 -174.69 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -106.39 149.76 26.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.579 ' HA ' HG21 ' A' ' 95' ' ' THR . 3.4 tt -47.26 -43.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -61.34 -32.55 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.4 ttpp -75.31 -52.85 9.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.32 -40.86 76.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 30.3 t-105 -60.09 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -32.1 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 140' ' ' VAL . 77.9 t -77.94 -5.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 27' ' ' VAL . 19.1 m -140.7 48.16 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -175.32 36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 33' ' ' ILE . 8.4 p -148.27 -175.81 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' ALA . . . -105.85 -39.55 6.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -42.34 20.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.55 -48.79 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 29' ' ' THR . 54.9 mt -65.96 -51.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.355 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -57.46 -18.52 18.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -12.76 20.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' PHE . 18.0 p-90 -148.2 -66.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' MET . 13.2 t80 -33.1 -68.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 160.17 172.2 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -160.06 -176.42 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.62 59.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -42.32 150.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.628 HG21 ' CD2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -139.53 136.84 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 44' ' ' LEU . 13.3 tp -96.06 65.44 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 3.1 mm-40 -142.14 138.99 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.48 134.99 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.26 26.25 58.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.628 ' CD2' HG21 ' A' ' 43' ' ' VAL . 3.1 t60 -101.66 82.66 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.47 156.46 37.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.4 p90 -152.03 -171.46 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -110.51 150.46 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 ' CB ' ' A' ' 40' ' ' ASN . 61.9 t -138.29 164.14 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -112.87 133.41 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.21 154.94 82.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.27 9.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -112.51 -51.32 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.61 -176.25 41.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.11 3.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.83 96.88 28.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.29 10.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 3.4 m -137.84 170.43 16.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -147.48 114.79 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.843 HG11 HD11 ' A' ' 66' ' ' ILE . 45.1 t -65.93 130.94 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -98.6 -57.19 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.85 149.32 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.843 HD11 HG11 ' A' ' 63' ' ' VAL . 35.2 mt -137.96 114.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -146.09 80.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.8 tt0 -45.07 -50.93 25.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.04 54.1 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 168.06 -74.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -177.71 -166.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.14 169.46 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.0 155.1 44.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 83' ' ' VAL . 3.4 p90 -157.07 153.85 28.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 p -99.8 164.56 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.6 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -119.7 113.83 21.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.64 172.34 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m 44.17 42.34 4.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -163.15 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.98 36.82 0.85 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 101' ' ' HIS . 9.7 m0 -119.05 176.37 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.1 131.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 74' ' ' PHE . 77.1 t -117.28 125.51 74.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.6 t -128.45 125.09 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -98.86 169.66 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.837 ' C ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -145.44 151.75 38.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.837 HD12 ' C ' ' A' ' 86' ' ' ASP . 5.4 mp -145.38 137.62 25.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -133.62 124.18 26.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.91 95.39 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 96' ' ' GLU . 29.5 mt -84.75 -45.88 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 113.33 -169.72 13.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 48.66 35.03 5.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 18' ' ' ALA . 17.5 m-80 61.82 35.29 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' GLY . 13.8 mttp -131.34 151.35 51.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 20' ' ' ILE . 1.5 m -147.04 141.44 26.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.4 tt0 -84.23 113.15 20.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -103.98 125.58 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.549 HG22 ' CD1' ' A' ' 100' ' ' ILE . 3.3 m -131.78 108.6 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.572 HD23 HG21 ' A' ' 133' ' ' VAL . 0.9 OUTLIER -88.96 129.83 35.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.549 ' CD1' HG22 ' A' ' 98' ' ' THR . 1.6 mp -127.8 131.69 69.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.504 ' CD2' ' C ' ' A' ' 101' ' ' HIS . 0.4 OUTLIER -128.78 139.81 52.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.625 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -158.06 174.84 35.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.89 -26.66 0.64 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.87 ' CZ3' HD13 ' A' ' 111' ' ' LEU . 6.7 m95 -70.9 -164.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.56 -79.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 5' ' ' ASN . 20.2 m80 -114.41 140.18 24.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 106' ' ' HIS . 18.4 Cg_endo -75.01 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 -41.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.47 152.71 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -109.98 157.85 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.87 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -91.47 151.52 42.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -61.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -46.75 56.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.848 ' HB3' ' HB3' ' A' ' 111' ' ' LEU . . . -58.33 -63.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 18.4 t30 80.4 171.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.431 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 66.18 158.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.524 ' HB2' HD12 ' A' ' 120' ' ' ILE . 0.4 OUTLIER -53.19 133.24 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 104' ' ' TRP . 95.4 p -59.23 -47.01 86.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.9 p -61.33 -38.6 87.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 117' ' ' LYS . 13.0 mt -61.45 -50.71 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 116' ' ' ALA . 9.4 mm -64.26 -42.99 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.417 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -54.81 -44.04 73.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.99 -50.09 31.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.58 -52.26 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.45 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 4.2 mmt -58.75 -29.95 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -72.57 -52.77 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -50.08 -36.54 28.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.65 -37.03 12.42 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.45 ' CD1' ' O ' ' A' ' 125' ' ' MET . 7.6 m95 -65.04 -50.42 66.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.551 ' N ' HE22 ' A' ' 12' ' ' GLN . 40.6 t -55.62 -43.96 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.461 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.77 -52.43 30.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -38.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.572 HG21 HD23 ' A' ' 99' ' ' LEU . 3.9 t -66.09 -33.21 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -116.81 42.76 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.4 mm-40 -142.78 -58.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.814 ' O ' HG23 ' A' ' 140' ' ' VAL . 14.8 mttm -100.86 -65.91 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -37.33 -57.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -48.86 -55.75 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.09 -40.43 76.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 136' ' ' LYS . 39.5 t -58.03 -54.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.461 HG11 ' HB3' ' A' ' 16' ' ' PHE . 2.3 t -66.28 -57.16 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -55.73 -20.89 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.439 0.161 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 64.97 98.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -115.37 170.61 8.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.3 169.91 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -147.06 168.86 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.61 HG22 ' CD2' ' A' ' 106' ' ' HIS . 24.2 p 46.16 -172.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -72.43 149.43 44.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.72 166.65 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -100.55 124.87 46.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 122' ' ' ARG . 6.6 mt -60.32 85.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG22 ' A' ' 98' ' ' THR . 12.0 ttmt -90.49 132.97 35.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.723 ' OE1' HG22 ' A' ' 130' ' ' VAL . 2.3 mt-30 -128.54 82.61 2.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 98' ' ' THR . 32.5 m -81.22 120.13 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.545 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 6.4 tt -151.04 155.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.8 t -115.37 135.77 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 58.2 m-85 -122.42 160.11 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.91 74.73 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASN . . . -160.78 -175.26 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -114.04 150.4 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 tt -46.23 -32.26 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -68.8 -48.64 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -54.09 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.02 -35.1 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 28.1 t-105 -66.47 -49.77 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -55.57 -31.95 62.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG11 HD22 ' A' ' 137' ' ' LEU . 20.7 t -74.74 -8.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 14.4 m -137.68 43.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -165.65 39.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 5.6 p -145.49 -176.04 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.12 -41.46 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -44.04 19.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.02 -51.49 45.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.86 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.81 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -77.08 -2.52 34.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 36' ' ' TRP . 14.3 p-90 -174.72 65.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' MET . 3.5 t80 179.01 -64.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 37' ' ' PHE . 3.4 mtm 161.39 166.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.526 ' CB ' HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -162.43 176.88 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' PHE . 2.1 t70 -114.88 66.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 29' ' ' THR . 54.5 t80 -37.64 151.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.587 HG21 ' CD2' ' A' ' 48' ' ' HIS . 1.2 p -147.36 119.07 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 tp -85.28 76.08 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -148.69 133.68 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 66' ' ' ILE . 55.2 t -67.79 135.41 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.44 16.42 65.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.587 ' CD2' HG21 ' A' ' 43' ' ' VAL . 1.9 t60 -110.06 116.38 31.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.634 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.54 157.16 17.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -131.0 171.09 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 144.49 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 40' ' ' ASN . 59.6 t -124.19 167.43 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' N ' HG12 ' A' ' 52' ' ' VAL . 5.0 mt-30 -128.17 117.52 21.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 156.95 66.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -105.64 -57.88 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.87 169.91 41.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.06 8.31 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -136.83 96.42 11.75 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 77' ' ' ASP . 18.3 Cg_endo -75.02 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -128.43 147.61 50.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -129.78 107.05 9.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 66' ' ' ILE . 80.2 t -55.83 125.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' SER . 20.1 mt -90.56 -55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.25 152.33 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.506 HD11 HG11 ' A' ' 63' ' ' VAL . 60.3 mt -131.43 132.5 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.69 75.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.3 tt0 -44.81 -50.99 23.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.3 Cg_endo -75.0 54.28 3.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.562 1.822 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.8 -73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 179.43 -173.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -156.3 152.18 27.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -125.85 160.05 30.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.412 ' CE1' ' HB ' ' A' ' 83' ' ' VAL . 43.1 p90 -155.75 145.35 21.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.413 ' HB3' HD11 ' A' ' 64' ' ' LEU . 62.9 p -89.96 155.51 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.88 138.68 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.448 ' CB ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -79.55 -178.98 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 33.0 p 37.07 45.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' THR . 1.5 m-20 156.35 110.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.93 53.22 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CZ2' ' CH2' ' A' ' 104' ' ' TRP . 10.1 m0 -117.29 134.47 54.77 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 101' ' ' HIS . 2.8 t -106.05 146.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 101' ' ' HIS . 98.1 t -135.74 121.55 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 p -134.63 146.89 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CE1' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -119.88 112.83 19.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.99 149.62 26.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.49 141.35 51.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 tttt -129.72 132.04 46.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -83.65 102.72 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -93.68 -45.1 7.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 106.71 -169.53 15.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 47.96 35.76 5.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.4 m120 61.72 35.63 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' GLY . 10.1 mtmm -132.03 148.48 52.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 m -149.3 142.18 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.02 121.64 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -105.7 132.4 51.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 11' ' ' LYS . 3.8 m -132.31 107.27 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 tt -90.52 119.44 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -122.01 117.18 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.559 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.3 t-80 -125.8 108.3 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -131.82 -156.25 8.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.48 -33.9 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.562 ' CH2' ' CZ2' ' A' ' 81' ' ' TRP . 10.0 m95 -55.91 176.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.48 -67.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.61 ' CD2' HG22 ' A' ' 6' ' ' THR . 7.0 m170 -127.89 140.86 39.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.56 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.0 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -26.24 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.404 ' HG2' ' CB ' ' A' ' 106' ' ' HIS . 6.9 pt-20 -102.04 154.06 19.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 115' ' ' ASN . 15.1 mm -101.01 155.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.549 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -104.5 144.65 29.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.03 177.89 8.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.48 28.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -164.15 -56.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.415 ' HA ' HG22 ' A' ' 110' ' ' ILE . 1.0 OUTLIER 62.58 -171.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.854 ' HB3' HD11 ' A' ' 121' ' ' ILE . . . 65.85 145.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 117.08 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.545 ' HB3' ' CE3' ' A' ' 104' ' ' TRP . 13.0 p -50.88 -44.27 59.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 122' ' ' ARG . 12.6 p -48.23 -30.22 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.7 mt -80.8 -48.78 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.854 HD11 ' HB3' ' A' ' 116' ' ' ALA . 2.6 mp -54.56 -50.53 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.17 -29.19 70.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -73.41 -46.89 46.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -62.85 -50.28 71.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 129' ' ' TRP . 0.0 OUTLIER -63.73 -44.98 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 130' ' ' VAL . 26.1 t -51.39 -52.95 41.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.16 -40.61 67.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.78 49.35 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.665 ' O ' HG23 ' A' ' 133' ' ' VAL . 2.5 m95 -68.53 -41.2 80.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 12' ' ' GLN . 82.3 t -60.03 -47.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -68.51 -51.66 40.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.74 -35.28 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 129' ' ' TRP . 15.0 t -71.73 -29.11 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.433 ' ND2' HG12 ' A' ' 133' ' ' VAL . 2.6 m-80 -117.23 37.97 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 3.6 mm-40 -140.69 -53.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 140' ' ' VAL . 30.4 mtmt -101.39 -67.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.603 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.3 tm? -36.83 -55.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -52.17 -54.39 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -57.97 -34.98 70.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 136' ' ' LYS . 38.3 t -64.49 -54.48 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 142' ' ' GLU . 0.9 OUTLIER -66.28 -57.18 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -56.32 -36.71 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 139' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.476 0.179 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -163.28 170.43 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.7 169.96 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.13 156.2 16.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -141.04 157.88 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER 62.34 173.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 107' ' ' PRO . 25.0 mt -86.39 169.47 12.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CZ ' ' A' ' 122' ' ' ARG . 7.1 m120 -121.72 173.57 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.16 134.99 37.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 122' ' ' ARG . 20.6 mt -66.01 84.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -83.21 139.29 33.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -137.23 86.74 2.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 m -88.28 121.16 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.51 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 8.8 tt -149.17 153.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 96' ' ' GLU . 67.5 t -110.14 121.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 14' ' ' ILE . 35.0 m-85 -110.81 150.59 28.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -79.46 75.95 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 141' ' ' VAL . . . -162.93 178.61 8.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' LYS . 7.3 m -105.28 152.16 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 95' ' ' THR . 1.1 tt -42.81 -62.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -52.37 -29.13 22.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.584 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -71.15 -55.79 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' HB ' HD23 ' A' ' 87' ' ' LEU . 89.2 t -62.89 -35.13 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 68' ' ' GLU . 19.0 t-105 -59.46 -48.86 80.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -54.31 -30.86 52.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG13 HG11 ' A' ' 140' ' ' VAL . 40.1 t -75.46 -7.22 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG12 ' HZ2' ' A' ' 36' ' ' TRP . 28.1 m -138.49 47.67 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.5 p -173.07 34.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -141.0 179.56 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 -44.77 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -41.85 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.07 -53.52 36.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 36' ' ' TRP . 80.6 mt -64.48 -46.18 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.98 -19.9 5.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.76 9.72 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.639 ' CZ2' HD23 ' A' ' 137' ' ' LEU . 5.1 p-90 -176.22 54.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 25.3 t80 -178.79 -70.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER 170.39 160.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.28 5.21 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.418 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.3 OUTLIER -161.58 -178.46 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.99 78.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -53.81 161.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.836 HG21 ' CD2' ' A' ' 48' ' ' HIS . 2.2 p -150.12 121.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.56 65.61 9.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' HIS . 2.2 mm-40 -141.11 134.38 29.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.54 141.6 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.17 24.94 10.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.836 ' CD2' HG21 ' A' ' 43' ' ' VAL . 2.3 t60 -103.61 72.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 149.81 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -138.69 -177.54 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -105.01 149.39 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.608 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 53' ' ' GLN . 95.3 t -135.96 163.15 35.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.466 ' N ' HG12 ' A' ' 52' ' ' VAL . 6.9 mm100 -126.48 115.31 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 p -127.37 164.05 38.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -29.92 7.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -72.64 -39.21 67.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.56 178.14 35.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 116.84 4.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p -136.91 98.15 10.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 141.59 26.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' CD1' ' A' ' 76' ' ' TRP . 21.3 m -102.75 161.99 13.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 108.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -141.22 116.0 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.4 135.06 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.57 -56.48 2.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -132.31 146.58 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.9 127.36 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.78 74.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . 1.6 tt0 -44.83 -50.13 26.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 18.2 Cg_endo -75.03 54.42 3.65 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.37 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 177.64 -171.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.635 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.91 166.36 33.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.51 155.88 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 31.9 p90 -156.45 150.98 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 p -95.79 160.04 14.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.597 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -121.64 127.37 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' THR . 0.3 OUTLIER -70.68 178.15 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 82.4 p 37.01 50.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 78' ' ' THR . 3.2 m-20 156.36 110.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.9 53.23 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.535 ' HE1' HD22 ' A' ' 111' ' ' LEU . 16.1 m0 -118.04 157.54 26.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.85 136.97 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' CE1' ' A' ' 74' ' ' PHE . 84.5 t -124.78 128.87 73.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.5 p -137.39 145.92 43.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -119.2 112.99 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.34 151.55 22.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 23' ' ' VAL . 5.7 mp -132.86 146.02 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 ttpt -141.0 115.76 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -72.57 122.34 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -109.8 -44.02 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . 118.61 -170.46 13.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 49.97 30.93 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 m120 64.76 33.55 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLY . 11.4 mttp -128.44 150.51 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.619 HG21 ' HA ' ' A' ' 20' ' ' ILE . 3.7 m -149.11 142.78 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.4 tt0 -86.97 120.77 28.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -105.59 125.5 51.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.691 HG22 HD11 ' A' ' 100' ' ' ILE . 90.0 m -128.22 106.52 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.1 134.06 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.691 HD11 HG22 ' A' ' 98' ' ' THR . 4.4 mp -130.7 127.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.491 ' CE1' ' SD ' ' A' ' 125' ' ' MET . 5.2 t-80 -131.73 111.74 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.71 -163.92 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 -26.99 2.75 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.684 ' CE3' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -87.54 -176.9 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 6' ' ' THR . 25.0 mttt -139.05 -70.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -104.58 150.67 38.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -75.02 -16.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 -49.98 7.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.56 145.18 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.1 mm -118.61 158.97 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.684 HD13 ' CE3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -89.71 155.69 47.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -66.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -52.32 -67.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 115' ' ' ASN . . . -51.13 -75.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 10.4 t30 81.03 64.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.62 157.22 19.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -51.74 117.15 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -50.49 -26.73 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 p -77.78 -48.19 17.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -55.22 -45.25 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.476 HG21 ' CH2' ' A' ' 104' ' ' TRP . 25.5 mm -67.33 -38.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.03 -50.91 60.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.66 -49.0 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.88 -52.83 59.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -71.13 -35.08 71.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.598 ' O ' HG23 ' A' ' 130' ' ' VAL . 12.4 t -62.12 -53.39 56.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.13 5.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -47.23 -34.8 8.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.697 ' O ' HG23 ' A' ' 133' ' ' VAL . 6.2 m95 -74.07 -39.37 63.5 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 126' ' ' SER . 27.4 t -60.42 -55.15 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 135' ' ' GLU . . . -60.62 -52.26 65.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 72.0 mt -55.38 -36.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 129' ' ' TRP . 4.8 t -67.72 -33.39 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -116.37 41.16 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 1.9 mm-40 -141.64 -52.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 140' ' ' VAL . 9.1 mtmm -108.68 -62.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.639 HD23 ' CZ2' ' A' ' 36' ' ' TRP . 3.3 tm? -36.49 -59.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 16' ' ' PHE . 45.4 tttm -54.56 -56.65 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -50.71 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.558 HG11 HG13 ' A' ' 26' ' ' VAL . 86.3 t -52.88 -55.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 18' ' ' ALA . 2.0 t -58.84 -57.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -49.43 -46.08 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 stop_ save_