data_1t0v_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 1t0v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 1.2 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.565 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 29.9 t80 -115.33 147.7 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 19.1 m-70 -151.49 170.56 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.55 146.23 29.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.22 -140.29 22.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -112.68 -168.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 144.38 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.704 ' HD3' ' HG ' ' A' ' 115' ' ' CYS . 18.4 Cg_endo -75.02 -170.75 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.74 116.82 20.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.485 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.2 m -149.14 112.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 113.63 27.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.419 1.747 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 82' ' ' GLY . 8.3 m -54.03 135.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.77 -41.37 92.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 26.5 p-10 -151.61 91.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.37 134.05 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.51 125.04 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.557 ' CE3' HG22 ' A' ' 54' ' ' VAL . 4.9 m95 -85.07 6.17 26.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.483 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 1.2 m -47.14 -62.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -99.47 -49.18 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.36 84.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.61 -168.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.64 -136.59 16.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.31 125.43 50.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.506 ' NE1' ' O ' ' A' ' 23' ' ' HIS . 17.5 m95 -127.5 152.23 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -130.57 139.67 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.953 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.22 152.49 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -126.48 -88.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -105.12 89.89 3.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -123.23 131.28 53.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.731 ' HH ' ' HD2' ' A' ' 156' ' ' ASP . 22.0 m-85 -31.92 136.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.453 ' CB ' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.03 4.12 5.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.49 171.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -65.8 -26.04 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 75.27 82.15 0.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 1.8 pttt -129.41 115.02 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 41.7 m-85 -162.38 168.24 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.82 102.96 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 37.9 tttm -91.55 72.57 5.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 t -163.03 46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.92 177.57 17.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -138.24 118.69 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -126.55 139.76 52.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.66 161.02 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD2' HG23 ' A' ' 56' ' ' VAL . 16.3 m-85 -119.81 114.56 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.1 m -108.5 132.37 21.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.73 18.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 41.16 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 66.99 88.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 87.14 -47.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 157.13 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.557 HG22 ' CE3' ' A' ' 19' ' ' TRP . 27.9 m -131.41 114.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -64.45 149.27 48.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 47' ' ' TYR . 54.5 t -142.45 124.54 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -122.21 118.82 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -110.99 136.21 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.35 120.21 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -158.33 -177.74 6.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 52.9 t -111.38 100.95 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.488 ' CD1' ' CG ' ' A' ' 67' ' ' TYR . 83.7 mt -83.88 117.04 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.4 m170 38.45 79.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.23 61.54 0.98 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.71 115.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.41 112.71 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.488 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -113.77 160.9 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -164.9 125.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.86 112.81 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.48 174.44 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 165.31 127.74 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 t -74.96 150.61 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . . . -104.87 112.64 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.5 t80 -125.68 149.16 64.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 121.24 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 77' ' ' GLY . 1.2 t -61.89 -52.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 76' ' ' VAL . . . -126.56 -121.45 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 118.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -53.94 -43.66 70.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 6.3 mttt -56.23 -78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.9 mm -43.02 157.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -57.39 -104.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.22 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -112.94 108.59 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -84.11 139.01 32.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.4 m-70 -104.62 119.97 40.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -116.47 110.41 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.413 HG21 ' CG2' ' A' ' 94' ' ' THR . 2.1 p -90.34 148.94 22.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.442 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.87 133.47 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.5 -102.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.63 37.94 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.87 147.41 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.413 ' CG2' HG21 ' A' ' 89' ' ' THR . 51.6 m -129.52 136.12 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -128.87 136.63 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -95.6 107.0 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' HIS . 40.4 m -92.61 133.92 35.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 115.33 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.456 ' CE2' HG23 ' A' ' 101' ' ' VAL . 21.7 t80 -115.2 109.92 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -87.99 107.88 18.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 17' ' ' PHE . 54.2 t -82.09 98.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 11.7 mt -37.49 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.48 122.44 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 t -105.75 156.21 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -96.76 -12.21 23.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 49.02 57.09 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -134.17 -77.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -140.58 14.32 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -154.36 155.42 35.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.66 ' CD1' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -143.48 133.99 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.594 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.9 OUTLIER -111.5 168.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 179.71 -172.15 43.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 154' ' ' VAL . 5.6 t80 -168.28 130.85 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.25 23.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.704 ' HG ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -136.47 122.29 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -94.16 142.4 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.459 ' CZ ' ' O ' ' A' ' 122' ' ' LYS . 48.0 t80 -87.21 138.34 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.81 117.24 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -16.17 60.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -87.76 -9.29 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 9.7 tptt 80.75 -58.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.67 -138.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-80 -156.21 172.66 18.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -126.48 164.27 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.443 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 9.6 t70 -107.03 147.44 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.8 106.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 3.0 p -138.09 167.07 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.45 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 1.8 p90 -148.94 148.83 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.509 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 55.7 t -109.78 135.54 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.617 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -112.12 154.08 25.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.472 ' CB ' HG21 ' A' ' 29' ' ' VAL . 10.8 t -150.13 112.12 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -36.24 -42.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 m -102.83 148.41 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' MET . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.46 -21.01 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.425 HG12 ' CG2' ' A' ' 138' ' ' THR . 14.3 t -129.04 133.23 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.483 ' CD2' HG23 ' A' ' 145' ' ' VAL . 4.2 tp -75.67 121.2 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.425 ' CG2' HG12 ' A' ' 136' ' ' VAL . 6.4 p -148.9 -177.58 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 57.24 -164.82 6.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.21 -23.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 108' ' ' ASN . . . -55.55 -44.47 76.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -39.12 73.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 85.9 m -63.41 -48.29 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.614 ' HB3' ' CE1' ' A' ' 109' ' ' TYR . . . -55.98 -43.91 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.483 HG23 ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.0 -31.99 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.416 ' N ' HG13 ' A' ' 145' ' ' VAL . 1.3 mm-40 -70.91 -56.29 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -50.99 -52.48 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.594 ' CE1' HG12 ' A' ' 111' ' ' ILE . 26.8 t80 -54.37 -53.99 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 152' ' ' SER . 34.2 mt -56.0 -57.13 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 96.9 mt -40.46 -49.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.59 40.4 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.9 p -68.23 114.01 18.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 113' ' ' TYR . 1.2 m -141.14 -44.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.559 ' CG1' ' CZ ' ' A' ' 148' ' ' TYR . 8.4 p -54.03 89.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.731 ' HD2' ' HH ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -75.63 103.07 5.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 4.2 p -54.01 -41.29 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.07 -19.18 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -42.36 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -53.33 172.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.453 HG11 ' CB ' ' A' ' 33' ' ' PRO . 10.5 p -149.57 125.4 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 163' ' ' SER . 5.1 m-85 -69.78 161.82 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 162' ' ' TYR . 80.3 p -36.07 145.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.9 t0 176.38 83.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.9 p90 -117.17 -47.97 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 71.24 148.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -34.81 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.08 -39.09 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.26 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.27 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.44 120.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -119.46 114.64 22.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -130.33 154.66 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -108.19 143.28 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' ' ND1' ' A' ' 124' ' ' HIS . . . 97.06 -136.93 13.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.96 169.21 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.2 m -45.84 156.01 0.47 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.239 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -171.22 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.3 mt-10 -77.7 124.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.5 m -160.74 116.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -75.13 113.15 22.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.96 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG13 ' CG1' ' A' ' 101' ' ' VAL . 27.8 m -55.66 136.95 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 7.4 p-10 -66.82 -41.68 87.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -155.93 87.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.703 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -66.15 128.82 37.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -116.74 127.15 54.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ3' HG23 ' A' ' 54' ' ' VAL . 2.8 m95 -85.55 6.73 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -57.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.07 -55.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.703 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -56.75 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.456 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.29 -175.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 -147.18 24.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -86.16 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.471 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 23.8 m95 -136.24 155.68 49.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 25' ' ' LYS . 9.8 m0 -138.53 140.3 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 24.4 mt-10 -60.01 155.94 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG13 ' CB ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -132.41 -91.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -102.52 99.45 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -132.09 171.88 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD1' HD21 ' A' ' 160' ' ' LEU . 20.2 m-85 -71.41 134.39 84.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -43.73 167.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.61 21.52 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.0 77.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.43 121.94 41.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -156.5 175.8 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.62 114.36 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 165' ' ' PHE . 13.8 ttmm -117.99 57.6 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -162.58 57.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.45 177.21 21.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -126.71 118.52 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -141.25 139.64 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -144.57 158.57 43.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.557 ' CE2' HG22 ' A' ' 56' ' ' VAL . 20.5 m-85 -107.86 128.3 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -118.72 110.49 38.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.73 14.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -174.16 125.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 74.05 25.59 70.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 88.94 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 159.55 20.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.586 HG23 ' CZ3' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -119.55 115.22 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.4 148.92 50.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -141.42 128.85 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.3 m -129.84 118.28 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -110.57 139.6 45.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.447 ' HE1' ' HE2' ' A' ' 66' ' ' GLU . 1.9 t80 -153.4 120.73 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.728 ' HD2' HG13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.71 -175.09 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.2 m -115.49 100.14 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.728 HG13 ' HD2' ' A' ' 60' ' ' ASP . 40.1 mt -84.29 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER 38.99 66.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.628 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.28 63.28 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.21 125.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' HE2' ' HE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -60.38 120.11 9.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -124.0 159.07 30.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 19.5 t80 -165.55 121.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 ttp -138.44 107.14 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.6 pt-20 -104.35 168.56 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 169.69 164.11 24.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.05 143.08 47.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB1' ' NE2' ' A' ' 86' ' ' HIS . . . -96.69 112.76 24.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 48.0 t80 -127.14 148.6 66.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -74.99 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -67.68 -50.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -118.54 -127.82 3.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -44.7 107.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -38.2 -50.99 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -54.93 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 15' ' ' ASP . 9.6 mm -38.73 157.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.36 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 44.67 54.09 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -102.49 110.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -91.86 138.62 31.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' THR . 3.8 m-70 -102.15 122.04 43.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.56 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 114.31 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.2 114.56 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.454 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.6 p -93.02 148.9 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 93' ' ' TYR . 5.7 t -146.62 93.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . 36.45 62.98 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.77 -34.92 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 90' ' ' VAL . 4.1 t80 -75.89 93.05 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' HG22 ' A' ' 89' ' ' THR . 21.0 m -99.51 124.98 45.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 142.84 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -96.51 107.82 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 86' ' ' HIS . 7.7 m -97.27 128.91 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 118.32 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 101' ' ' VAL . 8.6 t80 -121.04 110.14 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -92.71 119.49 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 99' ' ' PHE . 55.4 t -87.11 103.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.3 mt -38.07 -87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -155.26 111.0 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.583 HG23 ' CE1' ' A' ' 17' ' ' PHE . 3.3 t -101.14 151.16 22.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -94.37 -1.15 54.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER 38.59 63.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -133.55 -42.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.665 ' CD2' ' CG2' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -109.67 160.55 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.588 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -138.43 141.66 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.569 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -122.73 137.93 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -157.7 125.03 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 154' ' ' VAL . 9.8 t80 -94.16 113.25 25.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.25 168.03 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.4 129.22 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 128.88 53.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -68.31 128.29 36.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' LYS . 0.4 OUTLIER -101.4 109.96 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -52.65 52.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.168 . . . . 0.0 110.35 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.7 -57.08 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -13.55 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER 78.79 -60.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.44 -136.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 6' ' ' GLY . 32.3 p-80 -158.97 170.69 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -126.25 155.37 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.51 ' OD1' ' CE2' ' A' ' 113' ' ' TYR . 1.1 t70 -101.74 99.4 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.62 100.79 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.532 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 113' ' ' TYR . 53.5 t -94.42 138.98 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 6.7 p90 -125.12 121.56 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.496 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 72.6 t -103.28 141.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -118.04 158.29 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' VAL . 26.2 t -150.45 153.27 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -55.32 -48.68 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -105.1 164.28 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -56.03 -25.8 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.91 142.06 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.506 ' C ' ' CG2' ' A' ' 138' ' ' THR . 1.8 mt -75.74 140.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.506 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 1.3 p -154.02 -169.24 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 39.62 -160.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -48.28 -26.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . . . -54.78 -34.23 62.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -71.9 -34.31 69.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -78.1 -33.48 50.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.654 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.45 -45.56 76.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.665 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 77.2 t -71.86 -49.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.42 -55.76 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -53.62 -54.31 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.569 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 2.3 t80 -56.8 -47.31 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 145' ' ' VAL . 34.7 mt -57.36 -54.77 43.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.8 mt -40.54 -49.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -98.11 36.73 3.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 155' ' ' VAL . 11.3 p -70.65 128.81 90.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -121.67 -38.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 152' ' ' SER . 4.0 p -51.59 103.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.73 101.16 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 12.0 p -46.68 -43.52 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.33 -19.99 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -49.96 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 32' ' ' TYR . 6.5 mt -44.65 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 11.9 p -151.46 141.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 10.7 m-85 -84.34 158.39 21.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.0 p -39.44 157.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.51 98.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.528 ' CG ' ' HB3' ' A' ' 41' ' ' LYS . 29.4 p90 -118.63 -47.58 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 74.02 149.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -34.69 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.39 -38.46 63.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -69.39 -55.7 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.05 -52.68 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -58.59 108.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 35.0 t80 -100.99 150.17 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 24.7 m-70 -153.18 166.18 33.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.99 142.94 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 79.4 -136.1 16.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.39 -169.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 7.3 m -50.62 143.87 13.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -170.47 0.78 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -73.71 117.8 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.3 m -151.82 115.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -75.57 113.37 25.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 170.18 20.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' CA ' ' A' ' 82' ' ' GLY . 14.7 m -54.59 137.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -42.0 93.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -155.83 95.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.91 160.02 24.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.67 124.07 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CE3' HG23 ' A' ' 54' ' ' VAL . 1.4 m95 -83.95 4.09 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -49.57 -38.83 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -116.92 -63.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.669 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.25 93.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -177.24 -165.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.98 -140.65 30.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 6.8 mtpt -98.1 125.06 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 13.4 m95 -130.48 171.71 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.03 144.69 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 6.0 mm-40 -66.76 147.91 52.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG13 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -115.01 -86.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -106.71 91.82 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -121.07 155.02 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -53.77 133.46 56.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' CD ' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.04 2.79 6.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER 57.65 179.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.05 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -111.53 14.19 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 51.52 97.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.78 96.71 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.16 156.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 138.08 9.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -106.17 44.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 61.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.76 177.24 32.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -134.7 143.46 47.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -135.03 111.58 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.5 161.77 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 56' ' ' VAL . 7.3 m-85 -121.93 126.64 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -105.87 110.95 64.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.28 8.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 42.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.81 -169.67 16.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -49.11 -30.77 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 160.41 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CE3' ' A' ' 19' ' ' TRP . 14.6 m -136.65 113.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 149.41 43.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -145.81 135.1 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 15.3 m -127.62 117.03 21.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -112.18 133.21 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -153.85 120.17 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 1.3 p-10 -146.88 -175.54 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.3 m -111.62 98.71 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 HD12 ' CD2' ' A' ' 67' ' ' TYR . 43.4 mt -87.26 120.43 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . 39.7 m170 39.09 76.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.78 69.26 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -177.09 114.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 112.61 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.48 ' CD2' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -106.81 168.07 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 45.1 t80 -164.8 129.5 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 ttm -153.75 98.54 2.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -97.36 168.38 10.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 168.24 127.37 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 11.4 t -73.31 168.25 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 86' ' ' HIS . . . -116.04 128.16 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.5 t80 -142.87 147.46 41.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.98 135.91 19.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.2 t -75.54 -48.03 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.45 -120.15 2.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.48 112.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -47.45 -45.52 25.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ILE . 11.9 mttp -56.5 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -38.53 155.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.504 ' CA ' HG23 ' A' ' 14' ' ' VAL . . . -56.51 -107.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 43.81 61.05 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -108.51 114.05 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -93.67 143.18 26.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 97' ' ' THR . 10.3 m170 -103.78 154.62 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.25 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -104.03 133.14 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -105.91 146.85 29.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 t -140.21 88.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.68 62.86 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.84 -35.99 3.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.01 98.11 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -97.38 137.63 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -138.03 140.59 40.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -96.39 110.87 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.0 t -92.76 142.78 26.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.1 t -97.29 123.62 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.784 ' CE2' ' CE2' ' A' ' 129' ' ' TRP . 0.1 OUTLIER -113.22 109.82 19.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.68 106.29 18.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 102' ' ' LEU . 73.2 t -87.55 92.52 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -33.1 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.18 96.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.421 ' OG1' HG13 ' A' ' 110' ' ' ILE . 6.3 t -92.35 146.98 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.2 t0 -77.61 -34.73 53.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 2.0 m-80 70.76 61.81 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.64 -63.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -130.92 -45.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.656 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -106.13 160.07 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.624 HD13 ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -138.83 134.44 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.687 ' CD1' ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -116.41 140.98 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 129' ' ' TRP . . . -165.41 149.65 16.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 154' ' ' VAL . 8.6 t80 -128.32 114.51 16.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 3.4 p -123.19 135.78 54.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.596 ' HG ' ' CE1' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -134.56 150.56 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.748 ' HE ' ' HD2' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -133.07 128.93 37.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.22 110.88 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.748 ' HD2' ' HE ' ' A' ' 116' ' ' ARG . 37.4 m-20 -118.52 97.58 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 59.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -78.76 -62.66 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -116.05 -50.81 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 169.99 81.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.81 -144.62 12.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.596 ' CE1' ' HG ' ' A' ' 115' ' ' CYS . 6.6 p80 -151.68 179.25 8.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -122.3 164.48 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -122.33 164.96 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.429 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 1.3 t60 -170.07 116.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 129' ' ' TRP . 55.4 t -95.09 139.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.784 ' CE2' ' CE2' ' A' ' 99' ' ' PHE . 23.3 p90 -108.12 103.2 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 22.0 t -98.02 102.45 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -96.74 154.66 17.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' VAL . 1.3 t -149.49 150.91 33.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -51.34 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.3 m -104.67 172.89 6.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -59.41 -23.42 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.55 148.29 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 141' ' ' ALA . 0.6 OUTLIER -74.14 134.14 42.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.2 p -148.34 -178.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.9 -172.07 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.45 -26.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 137' ' ' LEU . . . -52.81 -39.6 62.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -36.32 70.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 0.9 OUTLIER -77.1 -37.25 54.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.656 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -54.43 -45.59 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.588 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.4 t -71.99 -45.54 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 4.9 mm-40 -54.22 -55.41 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -52.23 -55.04 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.687 ' CD2' ' CD1' ' A' ' 111' ' ' ILE . 10.2 t80 -55.96 -50.72 70.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 83.1 mt -55.48 -56.84 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.32 -49.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.04 41.1 2.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -67.81 124.72 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -29.87 7.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.5 OUTLIER -148.69 -47.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.532 ' CG2' ' CD1' ' A' ' 160' ' ' LEU . 2.2 p -53.31 93.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.1 p30 -73.43 107.65 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 6.6 p -58.73 -43.33 90.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.47 -24.49 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.72 10.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' A' ' 155' ' ' VAL . 3.3 mt -45.36 167.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.473 HG11 ' CD ' ' A' ' 33' ' ' PRO . 9.8 p -150.04 145.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 11.5 m-85 -90.0 161.95 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 34.8 m -35.79 139.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.29 66.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 52.9 p90 -88.21 -47.74 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.506 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 73.13 149.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.42 -34.63 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.2 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -78.88 -46.85 17.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . 0.517 ' SG ' ' CE2' ' A' ' 165' ' ' PHE . 1.2 m -58.04 -63.83 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 108.266 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.61 118.11 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 39.5 t80 -109.5 153.63 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 33.3 m-70 -151.64 168.0 26.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -109.37 137.96 46.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.618 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 76.47 -131.66 11.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -111.28 -172.9 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 115' ' ' CYS . 58.9 m -45.84 150.54 0.98 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.2 mt-10 -81.91 125.15 30.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.4 m -162.52 113.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -67.35 111.73 8.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' GLY . 24.0 m -53.85 124.68 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.43 -37.85 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -155.55 83.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -66.42 153.47 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -146.78 132.15 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CE3' HG23 ' A' ' 54' ' ' VAL . 5.7 m95 -86.53 4.38 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -62.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -89.42 -88.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -35.23 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.596 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -177.68 -169.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.641 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.19 -137.4 23.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -82.33 118.78 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.677 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 18.5 m95 -145.97 142.23 28.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.473 ' CZ3' ' O ' ' A' ' 40' ' ' GLY . 6.1 m95 -133.46 149.71 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 6.6 mt-10 -55.55 144.21 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG13 ' CB ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -111.08 -83.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -126.51 119.25 26.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -150.59 170.19 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 3.0 m-30 -58.53 135.01 85.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.2 Cg_endo -75.01 130.24 13.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -50.55 175.13 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.98 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.35 24.45 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.34 82.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 137.95 50.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -163.11 174.68 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . . . -171.45 119.95 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 2.2 ttmt -111.31 -152.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 28.0 p 41.96 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.4 177.16 29.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.471 ' N ' ' CE3' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -108.36 126.15 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -127.63 142.29 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -155.18 161.49 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 56' ' ' VAL . 7.8 m-85 -123.15 134.6 54.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -111.79 109.9 55.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.13 63.13 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -164.42 25.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -29.95 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.69 158.69 15.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.555 HG23 ' CE3' ' A' ' 19' ' ' TRP . 3.5 m -136.29 114.63 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 149.38 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.566 HG21 ' CD2' ' A' ' 47' ' ' TYR . 41.1 t -131.55 136.54 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.2 p -131.48 138.1 48.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -141.5 157.22 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.61 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -155.47 -178.14 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.49 114.25 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.545 HD11 ' CD2' ' A' ' 67' ' ' TYR . 34.3 mt -97.58 122.89 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.7 m170 40.25 62.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 68.03 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -173.49 122.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.89 113.12 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.5 t80 -117.32 165.34 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 17.4 t80 -153.67 139.11 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.2 ttt -134.8 116.91 15.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.67 169.66 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.36 165.73 21.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.3 t -116.4 151.97 34.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.525 ' HB2' ' CH2' ' A' ' 19' ' ' TRP . . . -114.53 112.35 22.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 29.7 t80 -132.53 149.19 72.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -64.05 -52.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.98 -124.26 3.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.89 122.1 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -53.39 -46.65 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 4.6 mm -41.97 160.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -63.8 -102.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 48.37 47.13 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.256 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -97.92 107.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 85' ' ' TYR . 5.2 p90 -85.8 136.15 33.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.2 m-70 -98.13 126.93 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.409 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 20.0 m -83.69 108.29 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.78 136.26 54.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -99.83 147.31 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 93' ' ' TYR . 40.8 t -143.9 123.14 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.05 63.37 0.76 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.61 41.93 57.55 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 2.3 t80 -142.83 93.91 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -69.15 130.86 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -133.86 138.01 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -95.49 106.32 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.8 m -95.35 133.15 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.1 t -90.28 122.56 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 t80 -124.4 109.17 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -89.74 116.56 27.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.521 HG23 ' CE2' ' A' ' 99' ' ' PHE . 72.9 t -86.98 101.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -38.73 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -166.96 98.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.49 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.9 t -91.03 155.73 18.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.453 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -82.05 -36.37 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.461 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 4.4 m-80 72.74 52.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.81 -67.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.436 ' CB ' ' CB ' ' A' ' 141' ' ' ALA . 1.3 m-80 -143.27 15.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.636 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -159.09 149.85 19.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.677 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.2 mp -141.36 127.06 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.59 ' CD1' ' CD2' ' A' ' 148' ' ' TYR . 0.4 OUTLIER -105.51 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 170.79 -174.04 44.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 154' ' ' VAL . 15.0 t80 -167.11 115.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 0.719 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -117.78 164.06 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.523 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 4.9 p -155.66 151.66 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -122.44 131.93 54.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -77.91 137.79 38.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.83 111.01 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -43.41 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.28 -59.15 5.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -18.5 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 mptt 73.95 140.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.54 -134.19 15.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.7 p80 -158.21 162.12 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -112.88 158.8 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 42.0 m-20 -95.58 159.07 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -175.89 88.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.633 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 129' ' ' TRP . 3.2 p -106.51 163.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.415 ' N ' HG21 ' A' ' 128' ' ' VAL . 3.5 p90 -146.81 138.2 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 92.3 t -120.09 124.06 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -101.33 153.34 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.49 ' CB ' HG13 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -149.3 142.73 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -42.25 -53.72 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 136' ' ' VAL . 7.0 m -100.28 151.62 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' MET . . . . . 0.452 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 1.2 ptp -42.03 -26.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -121.81 156.22 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 141' ' ' ALA . 0.6 OUTLIER -75.07 133.57 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 6.7 p -152.4 -176.92 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.56 -171.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.86 -26.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 137' ' ' LEU . . . -53.34 -28.57 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -72.79 -35.22 67.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -71.52 -38.54 71.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.636 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -54.95 -45.19 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.542 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 3.9 t -70.7 -46.01 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.74 -49.9 64.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -51.95 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 111' ' ' ILE . 8.5 t80 -54.9 -49.77 70.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 145' ' ' VAL . 27.5 mt -50.69 -56.55 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.8 mt -46.09 -49.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.18 42.13 2.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 155' ' ' VAL . 19.3 m -67.52 125.23 90.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.99 -21.89 15.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -166.13 -38.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.497 HG13 ' CE2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -51.34 116.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.78 101.09 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 12.7 p -50.16 -46.34 54.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -53.36 -28.3 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -38.95 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 1.3 mt -47.43 168.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 32.4 t -151.0 144.18 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -92.4 161.3 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.0 m -46.64 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 159.07 105.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 166' ' ' SER . 25.9 p90 -115.58 -46.79 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 12.6 m 69.43 150.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.06 -34.14 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.67 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -77.39 -57.3 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -56.92 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -47.19 118.09 2.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.533 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 3.9 t80 -116.18 138.76 50.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.533 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 10.1 m-70 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.62 136.63 49.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.11 -134.17 12.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.17 -168.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 77.3 m -50.53 157.35 1.28 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HG2' ' CE1' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -75.02 -171.07 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.0 mt-10 -81.37 120.63 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 6.6 m -158.83 113.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -70.92 112.82 14.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 178.47 7.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 17' ' ' PHE . 18.7 m -55.82 133.62 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -66.18 -35.35 80.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -158.77 96.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.56 159.39 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -158.02 121.52 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.8 m95 -86.34 6.22 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.979 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.456 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -46.16 -44.46 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.83 -85.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.646 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -29.58 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.54 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -177.07 -161.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.41 -138.19 33.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -96.73 132.12 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 110' ' ' ILE . 16.0 m95 -139.33 137.2 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.478 ' CZ3' ' HE3' ' A' ' 135' ' ' MET . 36.3 m0 -115.34 141.19 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' CB ' ' HD2' ' A' ' 41' ' ' LYS . 13.8 mt-10 -59.41 156.21 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 132' ' ' SER . 0.1 OUTLIER -128.59 -88.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -106.38 92.08 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 -172.81 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD1' HG11 ' A' ' 128' ' ' VAL . 2.5 m-85 -88.06 141.72 31.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 51.7 173.61 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 t30 -106.11 26.99 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 35.91 76.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 100.46 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.427 ' N ' HG23 ' A' ' 62' ' ' ILE . 36.4 p90 179.16 165.98 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.68 170.56 23.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -139.92 40.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.66 67.64 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -147.27 177.13 25.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -119.73 122.85 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -119.94 97.88 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -100.04 159.46 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 56' ' ' VAL . 11.4 m-85 -123.52 133.65 53.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -113.7 110.48 49.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.27 12.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.97 50.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.84 -173.24 14.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -45.83 -31.68 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.82 158.1 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG21 ' CE3' ' A' ' 19' ' ' TRP . 2.5 m -133.1 119.97 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 149.09 31.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 HG21 ' CE2' ' A' ' 47' ' ' TYR . 76.0 t -137.71 122.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 m -122.28 118.32 28.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.63 138.94 51.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.67 120.28 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.26 177.94 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.444 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 22.1 m -104.44 98.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.492 HD11 ' CD2' ' A' ' 67' ' ' TYR . 74.3 mt -73.88 114.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m170 39.74 77.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 40.91 59.61 2.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.49 117.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 114.74 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -127.16 160.63 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 9.7 t80 -165.45 128.62 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.3 mmt -145.48 124.65 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.9 pt-20 -122.7 167.24 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -179.22 -145.31 6.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 t -158.77 144.5 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 112.43 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 47.5 t80 -127.96 148.57 67.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.99 135.44 19.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 t -79.79 -51.03 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.15 -123.4 2.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -44.2 112.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -50.33 -41.5 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -56.92 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mm -46.22 157.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' CA ' HG23 ' A' ' 14' ' ' VAL . . . -53.96 -106.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.5 55.9 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.93 111.35 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -90.87 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' NH1' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -100.5 120.55 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.603 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 124.13 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' NH1' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -119.35 105.78 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.16 148.88 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' GLY . 45.9 t -142.45 168.39 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.34 -49.26 1.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.92 32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.8 94.22 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -116.39 120.01 37.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -137.9 146.53 43.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -95.57 113.29 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' HIS . 18.6 m -92.92 135.97 33.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.0 t -100.01 117.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.8 t80 -118.51 110.16 17.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -93.56 102.36 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.573 HG21 ' CE2' ' A' ' 99' ' ' PHE . 85.7 t -70.68 96.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.9 mt -34.08 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 108.53 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.425 HG22 ' ND2' ' A' ' 106' ' ' ASN . 10.2 t -100.78 139.81 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.99 -16.31 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.425 ' ND2' HG22 ' A' ' 104' ' ' THR . 0.9 OUTLIER 49.2 71.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -75.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.53 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -124.95 -40.02 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -112.36 162.98 14.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.606 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -143.94 135.29 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.588 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -108.95 172.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . 174.79 -175.41 46.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 154' ' ' VAL . 21.0 t80 -166.76 113.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.83 171.13 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.458 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -157.83 126.66 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.504 ' CE1' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t80 -64.98 134.05 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.71 96.33 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.504 ' OE1' ' CE1' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -76.1 51.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.13 -60.46 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 18.64 16.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.39 74.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.16 -138.67 5.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 115' ' ' CYS . 7.5 p80 -163.68 179.39 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -125.54 161.9 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -97.31 158.86 15.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.77 102.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.549 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 32' ' ' TYR . 1.6 p -105.2 163.49 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.453 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 3.1 p90 -139.87 141.33 36.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 107.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.502 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 42.4 t -119.9 138.07 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -115.45 160.85 19.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.486 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 12.4 p -146.76 160.5 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 108' ' ' ASN . 3.8 ttp180 -64.08 -56.51 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 m -105.69 -173.75 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' MET . . . . . 0.478 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -62.59 -11.81 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -159.61 110.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -65.2 145.15 56.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 10.7 p -144.6 177.41 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.91 -146.67 48.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -26.63 43.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 137' ' ' LEU . . . -56.28 -45.82 79.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -60.7 -40.12 91.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 95.7 m -65.23 -37.69 88.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.659 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -53.65 -45.53 70.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.499 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.6 t -72.84 -50.69 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -55.99 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.72 -54.4 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.588 ' CE1' HG12 ' A' ' 111' ' ' ILE . 17.2 t80 -56.92 -50.85 71.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.477 ' CD1' HG11 ' A' ' 145' ' ' VAL . 84.7 mt -56.35 -54.56 44.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 22.1 mt -40.33 -50.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.07 38.6 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 5.7 p -69.2 117.12 49.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.744 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.33 11.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -149.41 -43.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.549 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 6.8 p -52.52 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 154' ' ' VAL . 2.2 p30 -74.71 103.49 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 3.3 p -54.26 -37.73 65.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -54.25 -18.35 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -46.72 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -47.54 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 53.4 t -150.77 121.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 2.1 m-85 -67.55 162.16 23.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -36.33 124.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -173.77 68.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 166' ' ' SER . 42.4 p90 -84.71 -48.95 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.598 ' N ' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 72.91 149.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 171' ' ' LYS . 3.0 mt-10 -45.91 -35.03 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.16 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -79.78 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 171' ' ' LYS . 1.2 t -54.68 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -38.45 127.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 73.3 t80 -86.26 158.9 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 53.8 m-70 -155.07 170.44 21.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -105.27 139.26 40.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 -134.66 18.52 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.77 -171.02 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 56.2 m -46.43 140.29 5.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -77.96 123.58 26.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -158.35 115.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -75.88 114.18 34.5 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.27 29.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.595 HG23 ' CD2' ' A' ' 17' ' ' PHE . 16.1 m -49.08 135.06 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -66.29 -42.99 87.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -154.31 86.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.602 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.46 129.6 40.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -119.56 123.26 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.415 ' CH2' ' HB2' ' A' ' 73' ' ' ALA . 30.6 m95 -69.76 -14.77 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -56.13 10.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' CD ' ' HB3' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -106.09 54.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 175.31 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -175.64 -160.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.92 -145.55 49.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 2.8 mtpm? -82.45 126.52 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.9 m95 -140.95 140.95 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -120.9 130.16 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.85 157.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -120.07 -83.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -123.21 106.03 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 32' ' ' TYR . 13.2 ptmt -133.53 135.87 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.9 m-85 -32.36 134.8 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.016 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' CB ' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -146.1 172.51 5.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.84 6.47 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.88 94.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 mttt -115.92 100.14 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 70.3 m-85 -162.59 160.1 25.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.58 113.71 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -105.57 72.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 m -173.0 46.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -135.19 177.26 19.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -134.83 129.87 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -132.7 165.46 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -155.86 152.2 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CG ' HG22 ' A' ' 56' ' ' VAL . 9.4 m-85 -107.92 115.64 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 92.0 m -105.74 118.04 56.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 121.6 6.69 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.549 1.815 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.5 45.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 73.44 87.27 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.3 tttt 87.05 -48.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.7 158.67 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.5 112.13 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.1 mttt -72.32 147.16 46.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG22 ' CG ' ' A' ' 47' ' ' TYR . 87.4 t -132.61 132.0 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.28 117.67 23.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 142.88 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -152.64 119.91 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 67' ' ' TYR . 2.5 p-10 -156.31 -176.02 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 172' ' ' VAL . 10.2 p -123.81 97.69 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 67' ' ' TYR . 5.0 mt -74.34 121.85 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m170 63.59 -96.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.75 35.54 1.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -142.26 126.64 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.69 112.52 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -105.04 162.62 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 8.5 t80 -165.46 133.77 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mtt -144.05 155.48 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 27.0 mt-10 -140.75 166.53 24.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 172.63 148.26 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -110.88 151.71 27.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB3' ' NE2' ' A' ' 86' ' ' HIS . . . -109.8 117.74 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 38.8 t80 -132.09 148.98 71.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.593 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.02 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -56.3 -52.86 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.78 -118.74 2.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.46 113.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -48.38 -50.86 29.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -53.32 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.49 155.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.16 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt 43.63 65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.68 107.98 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -81.31 134.82 35.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.459 ' O ' ' CG2' ' A' ' 97' ' ' THR . 1.4 m-70 -100.65 128.11 46.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -83.87 114.56 21.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -109.31 107.3 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.449 HG23 ' CG2' ' A' ' 94' ' ' THR . 0.9 OUTLIER -88.58 138.46 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 91' ' ' GLY . 86.7 t -136.71 167.43 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' CG1' ' A' ' 90' ' ' VAL . . . -40.03 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 52.42 31.33 35.54 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.03 101.66 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 89' ' ' THR . 3.7 m -115.58 137.19 52.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 6.8 tptt -149.46 144.86 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.3 mptt -95.76 111.5 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 86' ' ' HIS . 8.7 t -93.31 144.25 25.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.89 125.06 46.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 101' ' ' VAL . 50.3 t80 -122.1 109.74 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -86.6 104.32 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 99' ' ' PHE . 41.2 t -82.16 98.27 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.6 mt -38.75 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.81 129.09 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -111.58 170.16 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.431 ' N ' ' OG1' ' A' ' 104' ' ' THR . 1.6 t0 -97.64 -7.46 30.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.409 ' HB3' ' CD ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 43.91 53.94 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -67.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.92 19.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.631 ' CE1' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -155.88 152.15 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.601 HD13 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -145.97 128.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.541 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -115.52 170.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 128' ' ' VAL . . . -174.38 -177.02 43.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.569 ' CE2' HG21 ' A' ' 154' ' ' VAL . 7.5 t80 -167.26 112.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 24.3 p -130.36 151.71 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -147.67 143.99 28.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.325 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -109.13 120.92 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -73.41 120.77 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.671 ' HD2' ' HB2' ' A' ' 120' ' ' ASP . 9.3 t0 -105.96 117.75 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -18.65 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.671 ' HB2' ' HD2' ' A' ' 118' ' ' ASP . 0.8 OUTLIER -73.52 -50.19 22.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -89.26 -12.75 39.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 79.4 -54.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.7 -141.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -159.85 173.6 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -134.16 135.35 43.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.79 155.86 16.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.89 116.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.636 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 0.2 OUTLIER -128.31 163.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.492 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 7.5 p90 -131.92 126.1 33.3 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.525 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 91.6 t -94.74 132.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -115.45 152.92 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.453 ' CB ' HG13 ' A' ' 29' ' ' VAL . 4.2 t -150.35 159.12 44.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -55.93 -50.89 69.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -104.12 -168.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -0.86 55.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.07 147.07 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.489 ' C ' ' CG2' ' A' ' 138' ' ' THR . 1.3 mt -75.05 134.08 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.489 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 4.5 p -152.79 -174.61 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.23 -169.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -46.98 -24.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.488 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . . . -53.58 -38.5 63.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -63.0 -35.27 79.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 2.3 m -72.21 -38.96 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . . . -55.34 -47.2 76.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.571 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 4.4 t -69.36 -43.08 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 3.2 mm-40 -56.42 -57.86 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -54.5 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.541 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 3.0 t80 -56.8 -48.65 77.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.481 ' CD1' HG11 ' A' ' 145' ' ' VAL . 23.4 mt -56.9 -56.9 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -39.67 -50.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.53 40.85 2.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.8 p -68.37 114.0 18.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.403 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.01 -13.44 21.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -165.33 -42.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.517 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 7.5 p -54.34 93.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -78.99 107.22 11.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 6.1 p -58.03 -45.39 87.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.24 -20.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -92.63 -47.05 7.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -46.41 171.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.462 HG11 ' CB ' ' A' ' 33' ' ' PRO . 8.5 p -150.2 130.61 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 163' ' ' SER . 22.6 m-85 -77.75 160.77 28.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' VAL . 19.8 m -39.38 159.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.8 m-20 161.49 104.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 26.0 p90 -120.29 -46.02 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.508 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 83.36 144.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.96 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.19 -34.54 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.13 -33.29 57.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.99 -55.19 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -34.38 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -75.03 144.87 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . 0.425 ' CG2' HG23 ' A' ' 61' ' ' VAL . 56.0 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.43 153.47 20.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -146.87 171.17 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 11.6 t0 -102.4 141.63 34.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 73.33 -144.07 33.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -117.15 -167.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 m -51.94 136.29 37.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 108.331 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.87 121.99 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.464 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.3 m -155.17 113.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.39 113.41 25.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' LEU . 18.2 Cg_endo -75.0 169.99 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 17' ' ' PHE . 3.4 m -55.05 123.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -157.78 88.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD2' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.21 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -123.15 116.64 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 2.8 m95 -84.1 7.38 18.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.056 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -62.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -98.49 -46.6 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.17 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -177.67 -178.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.59 -138.83 14.46 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -105.64 122.48 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' A' ' 110' ' ' ILE . 15.2 m95 -127.23 167.9 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -141.91 132.54 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HE2' ' HA ' ' A' ' 163' ' ' SER . 0.0 OUTLIER -39.87 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 132' ' ' SER . 1.2 t -119.18 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.487 ' H ' ' HB ' ' A' ' 29' ' ' VAL . . . -121.93 95.72 4.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 165.87 14.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CD1' HD21 ' A' ' 160' ' ' LEU . 38.2 m-85 -60.75 139.55 93.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.97 128.95 11.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.27 167.39 1.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -90.19 19.24 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.23 79.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.4 mttt -129.77 138.47 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 13.2 m-85 -155.34 174.88 14.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.0 113.64 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -105.55 -142.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.2 p 42.24 41.27 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.23 177.46 20.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 59' ' ' TYR . 1.9 p90 -122.05 119.93 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -136.1 98.73 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.55 159.21 15.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CE2' HG23 ' A' ' 56' ' ' VAL . 5.9 m-85 -121.27 117.96 28.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -98.0 109.91 53.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.16 13.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -152.8 48.72 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.19 -171.88 13.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -31.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.55 152.6 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.83 141.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -85.43 147.86 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.578 HG23 ' CE2' ' A' ' 47' ' ' TYR . 99.1 t -135.14 133.87 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.7 p -131.37 117.87 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.626 HH21 ' HD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -115.64 133.74 55.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.96 120.65 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.626 ' HD2' HH21 ' A' ' 58' ' ' ARG . 4.0 p30 -167.67 172.59 9.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -101.56 116.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.548 HD13 ' CG ' ' A' ' 67' ' ' TYR . 26.2 mt -104.53 118.78 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 38' ' ' LYS . 47.3 m170 45.73 77.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.81 60.35 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 115.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.9 112.84 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CG ' HD13 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -111.1 165.01 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 58' ' ' ARG . 69.2 t80 -164.76 149.08 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ttm -166.79 117.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 5.7 pt-20 -118.63 169.47 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 163.5 161.26 12.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.7 t -110.6 148.17 32.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 114.49 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 30.8 t80 -129.55 146.67 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.95 129.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -78.17 -49.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.43 -129.81 5.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -49.14 113.09 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 74.3 m -39.06 -55.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 9.0 ptpt -54.22 -55.91 23.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.452 ' N ' ' CG ' ' A' ' 80' ' ' LYS . 22.3 mm -52.79 151.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.62 -105.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 41.55 55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -100.87 111.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.6 p90 -91.81 130.64 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.555 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -94.91 121.61 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.596 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -80.13 119.27 22.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' NE2' ' A' ' 86' ' ' HIS . 2.2 mtp180 -98.57 106.43 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.53 142.51 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.99 169.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -36.59 -44.14 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.7 36.7 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.68 104.4 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.7 m -117.17 116.74 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -133.67 138.14 45.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 1.3 mtpt -95.43 112.92 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.454 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 53.6 m -97.32 141.55 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.7 132.41 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 101' ' ' VAL . 50.2 t80 -131.4 110.47 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.5 108.89 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 99' ' ' PHE . 50.7 t -88.72 102.31 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -34.72 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.45 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -166.33 103.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.68 155.64 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -86.77 0.37 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' ASP . 1.1 p30 38.75 68.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -75.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.522 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -128.14 -39.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -108.47 160.57 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -135.64 137.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 148' ' ' TYR . 1.8 tp -118.27 142.56 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.437 ' C ' HG23 ' A' ' 128' ' ' VAL . . . -155.26 179.06 31.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.531 ' CZ ' HG23 ' A' ' 154' ' ' VAL . 8.2 t80 -165.25 113.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 80.5 p -129.04 157.1 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.4 145.69 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -106.09 122.91 47.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.98 128.12 34.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.605 ' OD1' ' CD1' ' A' ' 125' ' ' TRP . 7.5 p-10 -143.89 98.96 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.94 53.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -86.08 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.34 12.56 17.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.18 73.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.25 -151.22 7.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.0 p80 -163.15 157.56 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.605 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 54.6 m95 -107.38 125.38 51.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.09 134.97 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.25 128.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.437 HG23 ' C ' ' A' ' 112' ' ' GLY . 5.8 p -132.67 179.95 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.456 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 8.7 p90 -142.34 120.11 11.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.029 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.52 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 60.9 t -93.63 140.46 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -116.96 140.39 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.52 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 12.5 p -122.78 141.79 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -57.61 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m -105.7 -163.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -27.48 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.92 157.54 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.509 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 9.4 tp -74.5 135.15 42.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.482 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 4.9 p -152.89 -169.84 3.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 41.66 -153.77 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.083 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -20.65 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -56.15 -43.79 78.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -65.0 -31.34 72.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.8 m -69.81 -51.0 37.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 109' ' ' TYR . . . -54.4 -44.91 72.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -69.91 -32.62 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.7 -58.15 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -50.08 63.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.591 ' CD2' HD11 ' A' ' 111' ' ' ILE . 36.8 t80 -55.23 -53.96 49.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 152' ' ' SER . 51.7 mt -55.63 -55.37 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 83.1 mt -40.01 -48.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.05 40.69 2.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.6 p -68.11 112.98 12.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -21.13 16.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.531 HG23 ' CZ ' ' A' ' 113' ' ' TYR . 2.4 m -156.54 -44.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 160' ' ' LEU . 7.5 p -53.23 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.77 108.32 8.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 9.9 p -59.8 -44.8 93.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -53.92 -19.83 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -47.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 155' ' ' VAL . 5.5 mt -48.55 174.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 34.8 t -150.4 122.16 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.3 m-85 -68.19 161.13 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.508 ' HA ' ' HE2' ' A' ' 28' ' ' GLU . 12.7 m -42.62 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 163' ' ' SER . 3.7 m-20 159.8 88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.0 p90 -110.0 -47.85 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER 65.58 149.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -34.32 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.07 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -70.0 -55.38 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.2 m -57.24 -57.56 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -54.45 119.68 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 2.6 p90 -73.06 122.2 21.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 35.6 m-70 -90.82 173.14 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.92 149.21 24.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 -138.15 18.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -105.2 -168.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 62.9 m -70.18 147.01 95.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -170.34 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -85.01 127.08 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.0 m -155.26 115.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -75.3 113.79 29.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.0 30.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 4.2 m -54.1 138.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.04 -42.94 88.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 32.3 t30 -158.29 91.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 115.11 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.434 ' CZ3' HG22 ' A' ' 54' ' ' VAL . 53.6 m95 -62.91 -21.8 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.046 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -48.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 5.5 pm0 -95.17 55.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 175.43 83.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.567 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.72 -164.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 70.64 -146.03 41.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -92.27 118.31 30.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.6 m95 -121.52 148.72 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.42 116.87 23.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' HE2' ' HB2' ' A' ' 129' ' ' TRP . 2.7 mt-10 -44.46 158.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -119.93 -86.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -124.96 123.96 41.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.58 159.07 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.448 ' N ' HD21 ' A' ' 160' ' ' LEU . 2.8 m-85 -49.58 130.52 19.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 129.9 12.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -46.75 173.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -91.92 24.87 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.19 83.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -128.88 132.26 47.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 15.9 m-85 -156.89 176.06 13.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.54 118.86 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -111.63 80.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -168.16 72.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.08 176.88 33.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 p90 -132.27 121.34 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -136.37 142.53 43.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -142.6 151.18 41.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.562 ' CD2' HG21 ' A' ' 56' ' ' VAL . 10.2 m-85 -105.62 104.84 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.0 m -93.54 131.39 32.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 131.63 14.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 48.47 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 59.23 87.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 86.54 -48.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.8 155.12 18.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 4.9 m -129.42 110.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.9 mtpt -66.22 134.46 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 47' ' ' TYR . 68.2 t -129.96 130.72 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -131.89 118.09 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mtp180 -113.56 136.69 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.08 119.49 5.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -159.51 -175.25 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 61' ' ' VAL . 17.9 m -115.55 99.19 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.499 HD11 ' CG ' ' A' ' 67' ' ' TYR . 27.8 mt -87.86 117.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 40.71 79.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 36.94 51.69 1.53 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.28 108.6 2.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -60.91 112.86 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CG ' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -102.54 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.07 133.74 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -160.45 119.67 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -126.97 170.43 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.83 175.21 38.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HG2' ' A' ' 55' ' ' LYS . 76.7 p -119.16 127.82 53.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -83.35 111.92 19.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.6 t80 -128.24 149.33 71.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 126.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.23 -49.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.09 -132.61 4.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.74 115.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -43.08 -48.33 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -54.29 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.58 150.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -51.8 -106.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 45.2 58.94 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -109.49 112.81 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.564 ' CD1' ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -96.44 144.22 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' THR . 13.1 m-70 -102.33 132.58 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 11.8 t -80.31 109.71 15.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 12.2 ptm180 -103.53 125.17 49.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.504 ' CG2' ' OG1' ' A' ' 94' ' ' THR . 1.1 p -100.23 137.37 38.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' GLY . 1.5 t -121.84 162.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.8 57.81 0.35 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 173.94 -55.28 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -149.32 161.76 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.504 ' OG1' ' CG2' ' A' ' 89' ' ' THR . 16.2 m -102.91 140.08 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 4.5 tptt -125.46 143.52 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -96.28 112.68 24.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' HIS . 38.1 m -93.14 125.53 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.57 128.81 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.763 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 87.7 t80 -133.6 110.07 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -83.05 128.69 34.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.534 HG21 ' CE2' ' A' ' 99' ' ' PHE . 54.3 t -101.24 101.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.511 HD11 ' CE1' ' A' ' 148' ' ' TYR . 10.5 mt -39.8 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.27 116.57 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.537 HG22 ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -104.57 160.32 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -8.68 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 3.4 m-80 46.64 55.25 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 -70.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -143.62 21.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.601 ' CD2' ' CG2' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -159.61 145.63 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.607 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -141.26 133.99 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.3 149.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -164.82 126.69 1.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.564 ' CE2' HG22 ' A' ' 154' ' ' VAL . 7.0 t80 -107.94 113.06 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 17.6 t -126.92 155.13 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.665 ' HG ' ' CE1' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -156.56 142.64 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 117' ' ' TYR . 2.4 tpt180 -126.73 131.82 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.421 ' N ' ' HD2' ' A' ' 116' ' ' ARG . 44.0 t80 -81.27 117.6 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 120' ' ' ASP . 1.5 m-20 -138.44 128.68 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 44.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -111.08 -48.16 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 163.95 -33.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.98 -151.56 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.665 ' CE1' ' HG ' ' A' ' 115' ' ' CYS . 1.3 p-80 -101.02 174.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 109.625 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -117.35 113.89 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -94.84 103.02 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 115.29 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 113' ' ' TYR . 24.9 t -104.16 153.23 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.763 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -137.8 138.15 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 50.0 t -120.73 121.68 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 129' ' ' TRP . 5.5 mt -103.18 153.12 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.8 t -149.28 158.15 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.21 -17.19 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -175.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.03 4.39 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 131.08 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.508 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 2.2 mt -72.7 137.22 45.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 18.8 p -151.63 -169.33 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.02 -156.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.07 -23.94 22.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 108' ' ' ASN . . . -54.91 -29.52 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 138' ' ' THR . 1.5 mtmm -75.69 -26.01 57.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.3 m -82.99 -39.9 20.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.558 ' HB3' ' CE1' ' A' ' 109' ' ' TYR . . . -55.06 -46.39 75.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.601 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 2.7 t -71.62 -47.06 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -57.03 12.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.46 -54.47 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.537 ' CZ ' HG12 ' A' ' 155' ' ' VAL . 16.8 t80 -56.75 -49.37 75.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 145' ' ' VAL . 28.2 mt -56.12 -57.23 13.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LEU . 79.2 mt -39.4 -49.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.28 40.66 2.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.4 p -67.78 127.99 93.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.52 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.564 HG22 ' CE2' ' A' ' 113' ' ' TYR . 6.8 m -149.33 -43.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 7.2 p -51.88 102.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.29 103.96 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.4 p -54.4 -37.78 65.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.51 -16.67 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.9 OUTLIER -104.93 -39.94 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 32' ' ' TYR . 3.5 mt -44.99 169.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 3.4 t -147.31 136.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.473 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 2.8 m-85 -86.81 162.21 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.2 m -41.52 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.8 m-20 157.12 101.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 166' ' ' SER . 21.3 p90 -120.6 -48.12 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 79.96 146.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -35.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.05 -38.11 62.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.76 -54.92 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.63 -48.43 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.68 110.73 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 87.5 t80 -112.91 147.74 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 37.9 m-70 -148.34 168.92 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.655 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.77 142.7 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.94 -144.06 33.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -91.32 176.96 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.479 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 59.2 m -40.89 152.32 0.25 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -171.27 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.814 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.506 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.1 mt-10 -75.53 124.51 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.6 m -162.06 110.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 112.43 21.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 82' ' ' GLY . 13.8 m -56.84 130.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -66.06 -38.86 89.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -152.6 94.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -68.16 130.25 42.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.79 112.15 22.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.427 ' CE3' HG22 ' A' ' 54' ' ' VAL . 28.9 m95 -69.27 -11.11 60.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 4.9 pm0 -102.34 62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 175.78 83.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.636 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.83 -164.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 -146.71 44.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 12.0 mtmt -79.97 118.87 22.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.7 m95 -135.78 134.93 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.463 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 6.8 m0 -117.83 127.85 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 15.2 mt-10 -46.0 155.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -121.84 -90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -106.54 101.33 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -128.6 168.0 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE1' HD21 ' A' ' 160' ' ' LEU . 25.8 m-85 -74.51 131.64 79.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.1 Cg_endo -74.98 114.04 3.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.94 171.39 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.94 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -84.05 7.66 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.82 76.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 14.1 ttpt -131.0 135.1 47.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 25.7 m-85 -166.04 171.58 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.62 108.09 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -104.26 80.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -172.28 42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -131.41 178.9 17.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -136.99 118.82 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -119.23 156.87 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.1 m-85 -102.19 124.68 48.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -99.71 109.56 55.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 50.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -164.88 12.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.39 163.17 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' CE3' ' A' ' 19' ' ' TRP . 4.5 m -135.1 124.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 149.24 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.57 HG22 ' CD2' ' A' ' 47' ' ' TYR . 46.9 t -139.43 136.38 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.0 m -131.22 117.62 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 4.0 ttm180 -106.55 140.34 39.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.75 120.27 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.609 ' HD2' HG13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -160.38 -175.28 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -115.37 98.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.609 HG13 ' HD2' ' A' ' 60' ' ' ASP . 73.7 mt -81.08 117.02 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 m170 40.97 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.583 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.01 59.2 1.78 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 117.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.51 113.2 3.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.483 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -115.46 164.67 13.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -165.07 133.35 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.3 mmt -147.76 113.5 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 170.09 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 167.48 137.47 2.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 t -96.36 150.84 20.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.97 112.0 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 35.7 t80 -125.0 148.49 60.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.67 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.61 -126.78 2.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.14 111.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.7 p -45.85 -45.49 15.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.0 mttm -55.51 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -42.6 164.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.59 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.33 63.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.47 ' CD1' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -110.94 105.92 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -78.97 135.52 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.551 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -107.37 121.05 43.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.66 131.73 35.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 104.61 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 p -82.77 148.58 27.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -149.3 101.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.41 -94.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.98 36.94 2.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.89 95.66 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -105.77 131.25 53.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -140.02 145.39 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -95.6 115.92 28.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -100.26 141.05 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.83 139.62 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 128' ' ' VAL . 20.8 t80 -131.75 110.51 10.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.73 102.0 13.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 84' ' ' ILE . 43.1 t -83.55 92.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -35.44 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.419 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -163.06 114.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.94 160.5 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -90.54 -2.86 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 40.34 66.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 -70.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.483 ' OD1' ' CB ' ' A' ' 133' ' ' ARG . 1.5 m-80 -147.33 18.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.668 ' CD2' HG21 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.23 160.12 40.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.6 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -146.3 135.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.504 ' HB ' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.11 165.08 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 128' ' ' VAL . . . -174.96 173.04 46.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.532 ' CZ ' HG22 ' A' ' 154' ' ' VAL . 11.9 t80 -151.58 111.9 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.01 165.22 13.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -157.19 135.81 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 16.8 ptt180 -104.07 121.84 44.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.74 125.62 27.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' LYS . 7.7 t0 -107.72 122.87 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.12 -51.65 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.16 -47.78 68.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -83.59 -17.0 43.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER 79.04 -56.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.93 -135.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 1.8 p-80 -160.74 174.12 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -125.81 160.76 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.8 149.83 22.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -175.16 115.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.47 HG23 ' CE1' ' A' ' 99' ' ' PHE . 1.5 p -139.71 168.74 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -135.26 137.06 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 73.7 t -106.11 128.34 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -106.41 156.3 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.561 ' CB ' HG11 ' A' ' 29' ' ' VAL . 3.3 t -149.65 150.41 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.483 ' CB ' ' OD1' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -51.04 -57.04 9.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 m -99.8 173.91 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -26.47 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -122.78 144.77 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' ' 141' ' ' ALA . 1.2 mt -67.63 133.52 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.5 p -151.33 -172.29 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 45.26 -170.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -46.73 -24.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.5 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . . . -53.53 -32.0 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -71.12 -30.33 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.4 m -79.27 -37.95 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.585 ' HB1' ' CD1' ' A' ' 109' ' ' TYR . . . -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 109' ' ' TYR . 11.7 t -71.44 -48.71 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 150' ' ' ILE . 2.1 mm-40 -52.52 -57.03 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.69 -54.13 45.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.606 ' CE2' HG12 ' A' ' 155' ' ' VAL . 29.0 t80 -56.47 -49.98 73.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 157' ' ' SER . 22.7 mt -56.78 -56.53 20.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 149' ' ' LEU . 27.8 mt -37.76 -49.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.75 43.35 1.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.4 p -67.26 126.79 93.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.31 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.532 HG22 ' CZ ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -156.11 -44.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.606 HG12 ' CE2' ' A' ' 148' ' ' TYR . 2.7 p -52.99 102.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 159' ' ' LYS . 0.4 OUTLIER -89.42 101.75 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 149' ' ' LEU . 6.5 p -46.89 -41.19 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -52.96 -22.22 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -91.22 -47.5 7.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 32' ' ' TYR . 6.2 mt -46.89 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 33' ' ' PRO . 5.6 t -149.93 130.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.531 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.9 m-85 -78.87 157.4 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 14.0 m -41.47 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.4 OUTLIER 156.53 110.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 1.8 p90 -122.49 -47.52 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.1 OUTLIER 79.45 147.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -34.51 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.81 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -68.35 -57.86 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -48.77 72.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.64 120.22 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -111.63 102.24 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -102.26 169.66 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.67 144.92 27.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.48 -135.5 14.97 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.523 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -127.72 -173.0 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -43.76 137.95 3.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.98 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -79.79 110.95 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.63 115.22 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -75.33 113.55 26.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 175.49 11.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.3 m -52.88 129.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -65.29 -34.11 77.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.19 93.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.66 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -65.53 159.61 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -157.71 121.31 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.528 ' CH2' ' HB3' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -85.78 5.9 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -47.45 -47.28 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.049 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.75 -56.58 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -56.67 84.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -171.04 -173.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.2 -145.99 20.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.85 120.77 41.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' ' CD1' ' A' ' 110' ' ' ILE . 12.4 m95 -123.36 171.75 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 19.5 m0 -143.14 129.59 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -47.94 146.18 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.539 ' CG1' ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -115.05 -80.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -132.4 113.82 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.35 150.45 47.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -42.82 134.03 2.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.95 122.19 7.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.1 178.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -42.85 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -104.09 20.48 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 42.24 78.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.63 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 pttt -128.59 120.76 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 9.8 m-85 -166.04 169.99 14.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.41 117.46 0.92 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 3.1 mptt -102.48 57.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.11 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.25 171.58 21.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -122.79 122.57 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -117.25 98.8 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.48 161.77 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 56' ' ' VAL . 8.1 m-85 -123.23 126.53 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -106.26 110.01 63.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.9 43.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -165.91 12.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -46.67 -30.56 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 158.98 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 m -136.76 117.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.11 139.4 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 47' ' ' TYR . 96.1 t -130.21 123.26 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -116.29 133.36 56.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.59 120.6 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -146.85 -174.44 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.839 HG22 ' HE2' ' A' ' 66' ' ' GLU . 43.6 t -114.82 99.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -64.06 149.91 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' ILE . 18.4 m170 -36.99 88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 65.47 54.12 28.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.9 159.7 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.839 ' HE2' HG22 ' A' ' 61' ' ' VAL . 51.6 mm-40 -122.79 112.62 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 13.5 p90 -130.01 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 3.5 t80 -164.15 108.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.9 mmt -105.05 133.37 49.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -141.34 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.57 136.96 2.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.6 t -75.06 152.82 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HB3' ' CH2' ' A' ' 19' ' ' TRP . . . -102.06 114.09 27.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 19.7 t80 -129.66 149.5 73.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 t -66.41 -53.63 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.65 -119.4 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.19 114.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -50.99 -44.82 60.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.64 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mm -44.99 154.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.75 -106.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.08 61.25 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.4 ' CG2' ' C ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -108.75 107.92 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -83.81 139.79 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.6 m-70 -104.05 121.61 43.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.69 108.85 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.37 116.94 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.62 145.16 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' GLY . 55.7 t -141.64 90.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.39 -86.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -129.75 33.31 3.0 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -144.52 94.54 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 135.15 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 135.11 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -95.28 107.21 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' HIS . 65.8 m -94.17 140.22 30.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.03 127.51 61.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 101' ' ' VAL . 2.7 t80 -126.23 109.69 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.43 103.73 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.533 HG22 ' CE2' ' A' ' 99' ' ' PHE . 70.3 t -75.18 96.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 mt -35.9 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.438 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -166.87 89.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.429 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.1 t -77.05 154.62 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 106' ' ' ASN . 23.1 p-10 -94.0 -1.89 53.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.438 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 38.95 64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -62.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.595 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -139.87 -43.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.618 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -108.25 154.24 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.719 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -122.93 133.21 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 148' ' ' TYR . 2.6 tp -111.03 131.93 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.54 164.53 31.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.413 ' CZ ' HG22 ' A' ' 154' ' ' VAL . 17.3 t80 -152.44 113.18 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.6 p -125.97 138.99 53.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.484 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -135.57 139.25 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 127.98 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.03 138.95 46.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.93 125.72 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.44 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -50.1 -56.67 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -67.66 -20.39 65.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 80.32 -54.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.45 -141.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 7' ' ' ALA . 2.2 p80 -154.58 176.51 12.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -132.8 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -112.92 113.15 25.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 2.6 p80 -130.59 104.74 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -178.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.409 ' HZ2' ' CD2' ' A' ' 99' ' ' PHE . 4.1 p90 -147.29 124.88 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 85.3 t -105.7 124.16 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.596 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -112.44 149.86 31.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 2.0 t -149.86 151.03 32.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -52.19 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 m -104.51 -171.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.4 148.34 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.539 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 7.2 mt -75.08 142.43 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.7 p -154.73 -167.32 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 33.9 -151.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.143 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.08 -24.61 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -52.16 -45.79 65.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -63.64 -36.08 82.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.6 m -66.77 -49.37 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.618 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.35 -40.62 71.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -39.38 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.17 -56.84 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -54.03 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.582 ' CD2' HD13 ' A' ' 111' ' ' ILE . 18.4 t80 -56.6 -49.51 74.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.1 mt -56.59 -56.8 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 98.0 mt -40.61 -48.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.39 39.72 2.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 155' ' ' VAL . 2.2 p -68.74 115.65 32.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.96 7.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -146.1 -44.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.501 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 2.5 p -53.26 90.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.2 p30 -74.3 104.1 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 3.7 p -56.49 -43.17 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -52.81 -23.12 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -38.66 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.488 ' CD1' ' CG2' ' A' ' 155' ' ' VAL . 2.7 mt -47.21 170.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 13.6 p -146.02 135.04 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.4 m-85 -92.99 161.98 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 28.9 p -39.27 160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.4 m-20 159.2 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 27.4 p90 -117.53 -42.3 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 71.77 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.48 -34.82 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.23 -35.16 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -75.84 -54.47 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -54.0 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.45 163.85 26.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 126' ' ' ASP . 36.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.512 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.7 t80 -74.84 156.79 36.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.459 ' NE2' ' OD2' ' A' ' 126' ' ' ASP . 79.7 m-70 -143.41 178.8 7.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.4 13.88 11.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.97 -137.41 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.76 -166.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.17 133.48 95.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HD2' ' CE1' ' A' ' 113' ' ' TYR . 18.1 Cg_endo -75.03 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -84.15 126.96 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -153.66 111.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -75.99 113.16 24.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.07 171.96 17.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 82' ' ' GLY . 30.2 m -56.06 138.05 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -67.53 -42.53 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.8 p30 -152.25 89.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.828 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -66.98 124.06 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.84 124.38 50.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 13.7 m95 -76.31 -3.78 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -50.5 -55.61 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -113.01 61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.9 OUTLIER 174.83 82.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -177.65 -158.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.564 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 65.06 -149.62 51.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 122.43 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 8.8 m95 -136.15 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.01 134.89 46.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 163.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.512 ' CG2' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -123.72 -77.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.523 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -134.51 116.33 14.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.2 134.79 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.813 ' HH ' ' HD2' ' A' ' 156' ' ' ASP . 50.9 m-85 -30.38 127.89 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' CG1' ' A' ' 161' ' ' VAL . 18.3 Cg_endo -75.04 143.12 28.56 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -59.22 178.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.02 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.7 t-20 -93.63 23.74 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.07 77.91 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -129.52 135.89 49.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 44.2 m-85 -167.82 173.38 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.98 108.13 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -103.29 63.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.6 m -163.57 51.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.32 177.41 22.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 10.3 p90 -130.64 142.18 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -144.52 114.95 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -113.07 159.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.705 ' CD2' ' CG2' ' A' ' 56' ' ' VAL . 6.8 m-85 -109.27 134.78 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -108.7 109.13 61.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 116.06 4.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.32 43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.01 -164.37 15.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -29.41 18.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.77 158.6 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 121.78 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.89 148.64 38.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.705 ' CG2' ' CD2' ' A' ' 47' ' ' TYR . 17.6 t -140.02 136.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 p -131.34 117.82 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 1.1 ttt85 -109.65 143.37 39.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.96 120.78 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.09 -174.48 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.69 99.19 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 67' ' ' TYR . 44.1 mt -82.66 122.53 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 m170 40.0 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 59.73 1.04 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -162.59 121.47 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.4 113.72 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CD2' HD12 ' A' ' 62' ' ' ILE . 1.3 t80 -123.01 159.86 27.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 10.1 t80 -165.58 139.87 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 121.44 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.66 166.84 10.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -177.95 158.23 23.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 t -123.2 145.35 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB3' ' CH2' ' A' ' 19' ' ' TRP . . . -100.26 112.35 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 37.3 t80 -126.58 148.73 65.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.562 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.01 129.79 12.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.46 -46.96 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.01 -124.18 2.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 114.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 m -45.55 -50.89 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' ILE . 42.7 mttp -55.41 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 15' ' ' ASP . 16.8 mm -39.41 157.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.34 -106.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.41 59.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -107.12 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -81.14 137.85 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -107.02 136.7 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.583 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 106.07 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.61 110.74 22.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 p -77.03 149.68 35.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' TYR . 3.1 t -139.51 90.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.24 50.47 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.17 -39.13 2.98 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -74.58 100.73 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -98.78 129.34 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -133.76 137.09 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -96.5 104.9 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.2 t -91.49 141.38 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.7 127.68 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 40.0 t80 -124.89 110.55 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -86.35 108.14 18.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 102' ' ' LEU . 66.7 t -78.04 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -31.13 -86.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.5 73.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.566 HG21 ' CE1' ' A' ' 17' ' ' PHE . 9.6 t -53.8 144.67 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.462 ' C ' ' ND2' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -77.82 -35.7 51.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.525 ' OD1' ' CG2' ' A' ' 104' ' ' THR . 3.4 m-80 71.25 49.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -78.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.468 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 2.1 m-80 -123.52 -42.58 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.655 ' CE2' ' CG2' ' A' ' 145' ' ' VAL . 2.6 t80 -110.07 143.66 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.716 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -112.49 135.88 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.57 HD13 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -109.86 133.9 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . -159.1 167.7 34.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.545 ' CE2' HG21 ' A' ' 154' ' ' VAL . 48.8 t80 -149.89 132.86 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 148.74 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -147.2 131.69 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.348 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.506 ' HG2' ' HD2' ' A' ' 118' ' ' ASP . 15.8 ttt180 -101.63 141.58 34.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.33 130.16 34.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.506 ' HD2' ' HG2' ' A' ' 116' ' ' ARG . 1.1 m-20 -145.73 96.79 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.62 59.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -110.48 14.1 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 80.07 72.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.62 -137.49 3.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 3.8 p-80 -161.33 179.12 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.592 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.512 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 4.6 m95 -142.01 148.08 37.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . 60.1 m-20 -108.2 153.08 23.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 127' ' ' HIS . 1.0 OUTLIER -161.21 94.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 1.4 p -98.89 157.83 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.752 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 1.4 p90 -120.68 146.24 46.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 109' ' ' TYR . 99.1 t -124.92 125.2 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -117.4 141.86 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.454 ' CB ' HG13 ' A' ' 29' ' ' VAL . 88.2 p -143.01 148.99 37.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -42.44 63.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 m -102.01 175.26 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -17.09 64.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -134.41 157.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.516 ' CD2' ' HB2' ' A' ' 109' ' ' TYR . 2.0 mt -75.73 134.68 40.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.7 p -153.32 -168.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.39 -167.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.83 -24.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -51.94 -45.18 64.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -55.19 -34.89 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.4 m -65.16 -49.08 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.28 -35.42 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.655 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 0.7 OUTLIER -78.46 -39.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -57.33 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.63 -53.44 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.568 ' CZ ' HG12 ' A' ' 155' ' ' VAL . 13.2 t80 -55.35 -51.85 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.4 mt -55.7 -56.42 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LEU . 38.9 mt -39.91 -49.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.24 42.92 1.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.49 ' CB ' HG13 ' A' ' 155' ' ' VAL . 1.3 p -66.19 115.51 24.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.1 19.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.545 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -164.49 -40.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 5.7 p -51.12 106.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.813 ' HD2' ' HH ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -87.54 106.09 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 4.0 p -57.65 -48.33 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -53.35 -20.03 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.41 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.45 ' CD1' HG23 ' A' ' 155' ' ' VAL . 3.2 mt -56.26 172.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 7.5 p -146.79 157.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.49 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 13.9 m-85 -117.72 162.37 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 162' ' ' TYR . 43.4 p -41.82 164.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.3 OUTLIER 162.82 94.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 21.1 p90 -119.04 -47.78 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.6 OUTLIER 68.93 152.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.008 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -34.47 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.78 -28.39 48.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -81.28 -55.75 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -39.57 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -65.62 111.5 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 23.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 9.5 t80 -116.42 141.83 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 5.8 m-70 -137.61 162.7 33.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.593 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.39 145.88 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.78 -135.9 12.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.54 175.75 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.78 139.3 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' HG ' ' A' ' 115' ' ' CYS . 18.2 Cg_endo -75.03 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.68 122.23 22.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.415 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -154.38 113.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -75.01 113.06 21.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 167.17 27.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG22 ' CG ' ' A' ' 17' ' ' PHE . 14.3 m -55.53 122.9 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.489 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -66.24 -29.11 69.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -155.99 89.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CG ' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.23 157.16 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -158.18 120.96 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 73' ' ' ALA . 1.6 m95 -87.07 6.34 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 3.3 m -46.88 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -88.16 -61.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CD1' HD12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -56.04 96.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.554 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.97 -156.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.601 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.61 -138.96 40.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -99.53 132.92 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 0.727 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ3' HD11 ' A' ' 110' ' ' ILE . 13.8 m95 -137.03 151.76 49.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.017 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -125.2 128.74 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.97 158.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 132' ' ' SER . 0.0 OUTLIER -118.3 -83.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 162' ' ' TYR . . . -134.21 116.45 15.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 15.2 pttt -143.4 143.56 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.073 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.606 ' HE2' ' HD2' ' A' ' 156' ' ' ASP . 92.3 m-85 -35.73 139.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -74.99 -170.69 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -126.99 176.85 2.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.96 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.78 27.57 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.62 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 113.05 25.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -157.02 170.88 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.76 121.42 0.87 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -124.84 57.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 0.724 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -159.45 62.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 60' ' ' ASP . . . -150.76 178.1 28.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.3 p90 -123.46 119.26 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB1' ' CG ' ' A' ' 58' ' ' ARG . . . -132.63 121.04 22.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.19 157.78 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE2' HG21 ' A' ' 56' ' ' VAL . 5.3 m-85 -112.27 130.6 55.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.9 m -121.92 109.18 34.05 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 135.9 19.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.96 120.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 53' ' ' SER . . . 68.95 45.9 61.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 3.4 mttp 74.88 -41.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -81.88 162.94 22.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 19' ' ' TRP . 4.2 m -131.81 113.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 149.29 48.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' CE2' ' A' ' 47' ' ' TYR . 94.9 t -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.4 m -121.67 117.54 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 2.9 ttt85 -112.55 139.71 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -152.95 118.84 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.983 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 2.0 p30 -155.78 -175.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.1 m -114.82 98.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.514 HD13 ' CG ' ' A' ' 67' ' ' TYR . 15.4 mt -80.66 124.15 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 6.4 m170 38.75 73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 67.04 0.56 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.66 123.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.76 114.9 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CG ' HD13 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -120.77 161.98 20.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 90.9 t80 -165.37 124.2 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 ttp -139.68 107.93 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.13 170.06 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 171.11 160.57 19.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.7 t -115.86 146.55 41.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.583 ' HB2' ' CH2' ' A' ' 19' ' ' TRP . . . -97.29 112.61 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 37.4 t80 -127.1 148.29 65.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.57 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 130.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.65 -51.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.11 -122.35 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.71 116.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.7 m -55.28 -52.99 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -48.79 -61.16 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 24.3 mm -57.89 165.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 81' ' ' ILE . . . -65.12 -105.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.83 61.22 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.47 108.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.579 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -83.14 134.14 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -105.92 125.98 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 129.53 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 104.38 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 94' ' ' THR . 1.6 p -89.92 145.59 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLY . 4.9 t -141.14 100.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.45 -91.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -121.42 34.79 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -144.19 101.21 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.417 HG22 ' CG2' ' A' ' 89' ' ' THR . 38.3 m -107.94 129.56 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -135.88 142.6 44.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' ' CZ ' ' A' ' 85' ' ' TYR . 19.4 mtpt -95.84 113.16 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.442 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 23.3 m -93.34 140.94 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 85' ' ' TYR . 62.5 t -105.02 109.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.641 ' CE2' ' CG2' ' A' ' 101' ' ' VAL . 9.5 t80 -113.2 110.05 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -96.75 107.95 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.641 ' CG2' ' CE2' ' A' ' 99' ' ' PHE . 63.3 t -74.0 104.32 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.8 mt -37.37 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.03 87.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.404 ' CG2' ' OD1' ' A' ' 106' ' ' ASN . 14.2 t -73.49 141.05 46.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.08 -14.55 46.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 49.98 70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.43 -74.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.468 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -128.17 -40.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -110.19 160.23 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.613 HD11 ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -128.59 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.582 HG12 ' CD1' ' A' ' 148' ' ' TYR . 2.0 tp -121.03 114.09 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.46 139.88 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.931 ' HH ' ' HD2' ' A' ' 126' ' ' ASP . 16.7 t80 -124.18 134.47 53.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -142.95 158.97 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.052 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.554 ' HG ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -155.38 124.48 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 108.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -97.13 136.8 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 5.0 t80 -84.76 140.34 31.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.78 111.0 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -74.86 -56.17 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -52.96 58.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -17.94 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.68 91.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 133.68 -141.13 12.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -155.81 172.47 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 65.0 m95 -129.68 160.18 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.931 ' HD2' ' HH ' ' A' ' 113' ' ' TYR . 15.9 t0 -105.9 105.84 16.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -110.82 94.95 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.79 149.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -138.96 117.75 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.402 ' CG1' HG22 ' A' ' 29' ' ' VAL . 97.5 t -97.53 130.85 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -105.26 160.74 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.468 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 4.2 t -149.8 144.76 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -48.25 -27.01 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -172.14 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 49.6 mtt -68.34 -18.05 64.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.99 136.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.478 ' C ' ' CG2' ' A' ' 138' ' ' THR . 7.3 tp -72.97 138.32 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 1.2 p -152.84 -169.91 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.24 -157.08 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -56.27 -22.05 27.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.773 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -53.24 -45.15 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -59.85 -27.56 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 6.9 m -74.75 -49.86 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -37.04 65.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -72.06 -57.45 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.59 -51.52 47.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.582 ' CD1' HG12 ' A' ' 111' ' ' ILE . 22.7 t80 -54.59 -49.67 69.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 145' ' ' VAL . 11.5 mt -55.79 -37.9 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 146' ' ' GLU . 81.8 mt -63.28 -49.64 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.54 27.23 21.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 148' ' ' TYR . 81.2 p -78.11 139.99 61.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.41 21.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' A' ' 155' ' ' VAL . 0.0 OUTLIER -165.01 -100.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.535 ' C ' ' O ' ' A' ' 154' ' ' VAL . 8.4 p 29.58 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.606 ' HD2' ' HE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -75.1 101.19 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 12.1 p -58.69 -46.04 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -52.27 -41.11 62.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -76.37 -39.06 54.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 2.1 mt -46.0 166.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 58.4 t -149.65 120.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.5 m-85 -70.67 161.12 31.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' VAL . 82.7 p -39.09 158.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 174.68 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 45.8 p90 -102.64 -46.25 4.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 67.58 150.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -34.51 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.08 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -68.09 -56.73 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -53.36 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -47.82 122.84 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.539 HG22 ' CD2' ' A' ' 32' ' ' TYR . 3.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 7.8 t80 -110.89 158.47 18.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 42.2 m-70 -148.16 -178.35 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.55 17.12 7.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.82 -136.96 3.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.8 -171.64 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -52.07 132.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.01 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -82.25 118.66 23.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -146.93 114.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -75.83 113.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 172.74 15.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 82' ' ' GLY . 9.4 m -55.32 135.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.65 -40.61 84.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -154.21 90.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 134.43 52.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.09 124.61 45.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG23 ' A' ' 54' ' ' VAL . 4.0 m95 -86.01 8.9 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 22' ' ' TYR . 5.2 pp0? -100.83 -48.06 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -57.46 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -175.21 -156.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 -144.3 45.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -91.96 135.64 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 10.3 m95 -137.54 170.94 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -141.72 120.69 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.6 156.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.531 ' CG1' ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -117.59 -70.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.557 ' HB3' ' CG ' ' A' ' 162' ' ' TYR . . . -153.11 129.55 10.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -153.35 170.62 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.539 ' CD2' HG22 ' A' ' 2' ' ' VAL . 2.6 m-30 -56.45 127.14 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -175.44 2.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.444 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -127.92 174.53 4.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.2 m-20 -91.93 19.87 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 34' ' ' SER . . . 36.23 91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -116.65 116.41 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 12.4 m-85 -169.14 170.17 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.0 109.26 0.4 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -109.37 83.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.6 p 159.03 48.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.88 177.46 18.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -118.39 124.16 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -142.11 138.78 31.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -138.61 160.65 39.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' CE2' HG23 ' A' ' 56' ' ' VAL . 10.3 m-85 -115.7 121.16 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 94.5 m -111.35 130.79 22.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.17 17.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.09 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 69.11 85.01 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 83.76 -48.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.95 159.05 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG23 ' CE3' ' A' ' 19' ' ' TRP . 32.9 m -133.83 116.38 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -71.32 147.63 47.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' CE2' ' A' ' 47' ' ' TYR . 66.9 t -137.73 129.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.4 p -125.96 118.38 25.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 137.41 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.09 120.45 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 111.001 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -175.03 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.44 103.14 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 67' ' ' TYR . 65.0 mt -86.94 129.81 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.8 m170 39.38 70.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.94 58.87 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -165.03 127.31 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.5 112.82 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -121.36 159.5 25.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 7.8 t80 -165.23 136.03 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.69 150.7 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 15.8 mt-10 -140.67 163.7 32.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 168.56 128.86 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 t -81.3 163.02 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . . . -115.0 112.35 22.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 43.9 t80 -126.61 149.29 67.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -62.86 -51.07 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.11 -127.86 4.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.59 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.7 p -40.56 -48.94 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' ILE . 18.1 mttt -55.29 -72.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 80' ' ' LYS . 41.9 mm -40.32 161.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -62.48 -104.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 42.01 54.96 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -100.71 107.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -86.28 140.54 30.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.591 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 1.3 t60 -104.89 115.7 30.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.4 104.75 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -100.16 120.41 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -92.21 149.22 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.1 92.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 39.73 58.03 2.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.73 -34.55 4.32 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.67 94.5 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -95.88 134.49 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 138.3 54.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -95.6 100.47 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' HIS . 26.1 m -94.96 130.85 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.73 121.6 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.715 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 89.8 t80 -123.89 109.49 13.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.41 124.92 33.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.553 HG23 ' CE2' ' A' ' 99' ' ' PHE . 55.4 t -92.3 96.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.5 mt -32.59 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.06 112.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.42 ' OG1' HG13 ' A' ' 110' ' ' ILE . 2.8 t -104.73 150.19 24.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -80.19 -3.0 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' ASP . 6.8 p30 38.94 49.73 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -66.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.505 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -132.56 -45.27 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -99.88 160.95 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.591 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -143.97 137.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.458 HD12 ' CD2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -120.53 169.69 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.41 40.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 154' ' ' VAL . 9.6 t80 -155.59 118.26 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 p -142.99 152.01 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 1.7 p -155.99 146.79 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -116.75 140.99 48.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -70.08 105.72 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.58 100.57 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 55.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 16.94 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 80.49 87.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.11 -131.98 3.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 2.6 p-80 -163.2 179.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 3.5 m95 -141.38 137.57 32.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.027 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.53 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 34.2 t70 -98.48 149.35 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 96.4 m-70 -159.45 102.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -104.16 -176.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.715 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.8 p90 -151.94 141.29 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.515 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 60.8 t -117.71 133.25 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -118.78 146.55 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 29.7 t -149.95 157.82 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.53 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.64 174.0 11.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 ptp -64.11 -19.85 65.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.531 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 1.6 mt -72.19 144.26 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.519 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.5 p -154.53 -172.18 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 34.65 -151.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.69 -25.62 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 138' ' ' THR . . . -53.29 -41.52 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.1 m -62.38 -48.33 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.56 ' HB3' ' CD1' ' A' ' 109' ' ' TYR . . . -54.93 -45.27 74.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.422 ' CG2' HD11 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -72.0 -42.15 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.6 -57.58 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.51 -53.68 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.523 ' CZ ' ' CG1' ' A' ' 155' ' ' VAL . 10.9 t80 -56.22 -50.67 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 44.0 mt -55.6 -57.43 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 88.2 mt -39.69 -49.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.83 41.03 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -68.8 113.18 14.33 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -17.9 19.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.547 HG21 ' CE2' ' A' ' 113' ' ' TYR . 5.2 m -161.45 -41.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.523 ' CG1' ' CZ ' ' A' ' 148' ' ' TYR . 2.3 p -53.06 94.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -77.87 112.34 14.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 6.8 p -67.48 -45.09 76.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -52.5 -34.12 48.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -83.48 -39.98 19.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 2.2 mt -46.61 171.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 33' ' ' PRO . 7.9 t -145.36 145.48 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.557 ' CG ' ' HB3' ' A' ' 30' ' ' ALA . 2.1 m-85 -100.91 162.55 12.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 162' ' ' TYR . 13.9 m -36.28 153.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 162.77 87.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.5 p90 -114.5 -49.26 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 79.85 141.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -34.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.37 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -60.96 -58.01 10.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 m -61.66 -51.29 69.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.89 113.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -110.38 148.44 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 6.2 m-70 -148.25 163.67 36.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.633 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.6 17.69 19.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.52 -134.26 4.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.619 ' C ' ' CE1' ' A' ' 124' ' ' HIS . . . -136.5 152.78 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.63 ' N ' ' CE1' ' A' ' 124' ' ' HIS . 0.0 OUTLIER -34.52 137.94 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.5 OUTLIER -86.16 147.43 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 113' ' ' TYR . 3.7 m -162.56 110.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -68.15 111.06 6.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.05 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG21 ' CA ' ' A' ' 82' ' ' GLY . 4.8 m -56.56 135.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -66.04 -41.41 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 32.3 p-10 -156.25 94.79 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.744 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.98 129.59 40.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.12 116.07 24.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 11.7 m95 -71.35 -11.81 61.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.9 m -48.75 -46.73 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 106' ' ' ASN . 2.0 pm0 -120.41 61.68 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.744 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 175.38 84.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -175.38 -168.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 73.05 -140.02 27.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -86.24 121.31 28.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 14.6 m95 -136.48 122.71 20.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 10.0 m0 -104.17 135.45 45.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 154.45 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.487 HG23 ' CG1' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -111.78 -82.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -136.39 118.51 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.6 OUTLIER -135.56 170.01 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 13.2 m-85 -60.19 138.45 91.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -73.53 177.96 1.78 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.0 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -94.92 20.93 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.78 75.7 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.3 124.19 49.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -154.37 177.01 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.45 120.74 0.53 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 163' ' ' SER . 0.1 OUTLIER -95.29 -138.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.0 m 45.39 52.07 9.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -117.49 177.63 16.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -153.89 118.43 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.06 165.74 21.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 2.1 pt-20 -155.75 159.79 39.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CE2' HG21 ' A' ' 56' ' ' VAL . 4.6 m-85 -121.75 134.59 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -110.43 109.59 58.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.37 5.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.52 54.31 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.57 -171.44 13.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -46.78 -31.27 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.38 155.41 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.77 117.41 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.43 148.93 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 47' ' ' TYR . 59.4 t -136.03 134.15 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.54 118.32 19.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 135.32 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.21 120.32 5.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 p30 -159.79 -174.51 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -109.5 138.1 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.1 mt -126.97 117.28 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLY . 6.7 m170 40.28 78.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 54.42 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.4 113.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.14 120.09 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -116.44 159.71 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 27.9 t80 -165.72 138.46 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.83 141.17 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 174.84 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.23 179.58 39.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.87 138.39 44.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.68 122.25 37.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 27.2 t80 -133.96 148.22 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 77' ' ' GLY . 1.1 t -61.02 -50.24 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 76' ' ' VAL . . . -124.43 -124.96 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 111.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -45.15 -47.59 12.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ILE . 4.1 mptt -56.34 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.63 156.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' CA ' HG21 ' A' ' 14' ' ' VAL . . . -54.51 -108.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.17 56.01 7.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 HG23 ' C ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -110.73 107.62 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.608 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -90.56 141.05 29.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.477 ' C ' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -107.51 134.06 51.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -86.75 104.72 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.963 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 114.74 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.443 HG23 ' CG2' ' A' ' 94' ' ' THR . 1.0 OUTLIER -93.49 144.68 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.08 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' GLY . 35.0 t -141.11 94.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.68 -80.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -138.26 33.4 2.24 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -141.47 96.38 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.443 ' CG2' HG23 ' A' ' 89' ' ' THR . 53.9 m -93.96 128.39 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -131.91 135.35 46.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.9 mptt -95.02 106.96 18.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 15.2 t -92.92 137.75 32.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.3 t -87.03 125.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 22.5 t80 -124.61 108.99 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.97 102.9 15.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 102' ' ' LEU . 24.2 t -72.85 101.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' VAL . 3.7 mt -38.07 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.41 111.72 3.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.474 ' OG1' ' CG1' ' A' ' 110' ' ' ILE . 11.8 t -106.7 136.07 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 4.2 t0 -74.17 -4.23 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.449 ' HB2' ' CG ' ' A' ' 21' ' ' GLN . 3.1 p30 41.61 73.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -78.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -124.36 -38.43 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -105.26 154.2 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.621 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -142.47 141.01 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -122.9 136.39 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -131.53 171.31 21.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.576 ' CD1' HG22 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -161.54 133.45 5.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.43 -176.52 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.2 p -156.87 162.89 39.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -139.73 109.41 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.99 131.35 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.15 98.91 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.98 -13.54 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.72 -52.02 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -99.48 -7.02 26.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 88.5 -50.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -60.01 -139.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.63 ' CE1' ' N ' ' A' ' 8' ' ' CYS . 9.4 p-80 -164.13 178.25 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.9 m95 -131.94 159.79 37.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -119.18 140.98 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.19 134.25 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -135.29 179.38 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.753 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 p90 -142.84 128.29 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 84.8 t -101.85 135.73 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -111.06 156.54 21.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 6.4 p -146.4 145.59 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -50.07 -54.32 21.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.5 m -105.52 -165.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' MET . . . . . 0.505 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.72 -21.27 60.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.45 150.06 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 2.7 tp -75.81 131.16 39.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.451 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.7 p -150.55 -169.66 3.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 141' ' ' ALA . . . 42.92 -166.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -47.09 -23.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -54.78 -35.53 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -68.89 -25.57 64.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.2 m -75.98 -52.59 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . . . -53.17 -40.31 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.461 HG22 ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.34 -37.3 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -56.34 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.85 -49.71 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.579 ' CE1' HG12 ' A' ' 111' ' ' ILE . 20.5 t80 -56.18 -52.91 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 152' ' ' SER . 28.5 mt -55.14 -56.99 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -40.69 -47.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.38 39.53 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 149' ' ' LEU . 6.0 p -71.72 123.09 88.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.438 ' HD2' ' CG1' ' A' ' 155' ' ' VAL . 18.3 Cg_endo -75.07 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -114.12 -34.43 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.533 ' CG1' ' OH ' ' A' ' 148' ' ' TYR . 1.8 p -54.92 92.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.526 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.8 115.89 14.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 7.4 p -74.37 -48.43 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -52.9 -19.82 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -99.07 -38.65 8.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 3.5 mt -45.55 170.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 65.3 t -144.37 119.77 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -76.5 162.47 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 86.1 p -40.56 162.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 m-20 156.83 100.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 166' ' ' SER . 24.1 p90 -108.98 -52.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.488 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 74.02 149.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -45.2 -35.52 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.54 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -82.62 -56.89 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -57.56 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.5 OUTLIER -66.93 119.05 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CE3' ' A' ' 125' ' ' TRP . 4.3 t80 -105.34 139.71 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -138.3 158.93 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -104.3 143.55 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 91.59 -140.08 15.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.29 -168.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 155.69 61.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 10.1 mt-10 -82.17 124.68 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 1.6 m -161.52 112.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -76.19 113.0 24.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.06 166.16 29.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.544 HG21 ' CD2' ' A' ' 17' ' ' PHE . 11.6 m -48.62 126.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.76 -37.11 86.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -156.85 87.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.74 154.08 41.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -121.68 120.6 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.549 ' CH2' ' HB1' ' A' ' 73' ' ' ALA . 33.4 m95 -69.42 -27.98 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.562 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -57.43 -67.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.688 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -56.04 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -44.96 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -170.49 -174.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.41 -133.61 12.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 5.8 mtmt -94.91 141.83 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 39.3 m95 -151.68 116.28 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 135' ' ' MET . 0.1 OUTLIER -97.8 141.27 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.29 156.19 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 132' ' ' SER . 0.0 OUTLIER -121.51 -85.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -120.75 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -142.24 149.96 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.403 ' OH ' ' OD2' ' A' ' 156' ' ' ASP . 78.2 m-85 -49.25 132.78 16.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.47 169.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.69 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.75 1.93 24.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 78.4 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 17.6 mttm -130.03 136.33 49.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 18.7 m-85 -166.13 173.44 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.66 119.72 0.71 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 19.6 ttpt -107.67 69.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 41' ' ' LYS . 52.8 m -160.36 49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.06 177.22 30.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -132.32 158.36 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.96 100.83 3.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.25 156.4 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 56' ' ' VAL . 6.6 m-85 -118.78 129.97 55.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.7 m -119.22 109.31 39.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.76 12.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.5 124.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 78.48 34.19 36.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER 82.06 -44.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.06 168.77 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.549 HG23 ' CZ3' ' A' ' 19' ' ' TRP . 14.9 m -125.7 112.0 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 149.25 49.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 47' ' ' TYR . 41.6 t -138.57 128.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -120.89 117.74 28.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -109.72 138.31 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -153.44 119.65 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HD2' HD13 ' A' ' 62' ' ' ILE . 42.9 p-10 -155.09 -174.81 5.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.72 98.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.482 HD13 ' CB ' ' A' ' 67' ' ' TYR . 4.1 mt -81.96 124.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER 39.14 75.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.81 51.78 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.23 118.69 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.0 118.31 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CB ' HD13 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -121.72 163.2 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -165.03 141.96 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 122.04 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.17 168.58 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 178.1 159.98 23.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 137.43 54.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.372 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HB1' ' CH2' ' A' ' 19' ' ' TRP . . . -90.88 125.18 35.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.621 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 58.8 t80 -142.25 148.68 48.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.621 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 133.78 17.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -49.31 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.43 -131.42 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.1 m-20 -44.6 107.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 1.8 m -38.96 -60.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -66.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 3.5 mm -49.31 159.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.07 -110.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.34 57.43 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.19 112.56 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -92.29 141.12 28.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -112.7 127.28 56.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 118.14 21.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.96 107.6 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' HG21 ' A' ' 94' ' ' THR . 1.4 p -86.11 149.13 25.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' GLY . 84.5 t -149.76 94.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.7 -89.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -125.88 35.65 2.95 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -145.42 93.07 2.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 0.788 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' CG2' ' A' ' 89' ' ' THR . 74.4 m -110.9 126.44 54.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 146.45 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.92 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.432 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 89.1 m -97.97 129.21 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.459 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.523 ' HA ' ' CB ' ' A' ' 85' ' ' TYR . 5.9 p -91.23 125.47 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 84.1 t80 -119.64 111.48 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -85.03 115.34 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.53 HG23 ' CE2' ' A' ' 99' ' ' PHE . 53.9 t -89.04 105.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 10.1 mt -39.5 -90.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.35 66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.484 HG21 ' CG1' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -50.3 160.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.1 -18.94 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.688 ' ND2' HE22 ' A' ' 21' ' ' GLN . 0.5 OUTLIER 53.49 42.54 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -45.41 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.1 OUTLIER -154.04 -45.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -106.69 153.32 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.571 HD11 ' CD1' ' A' ' 22' ' ' TYR . 1.1 mt -122.74 122.42 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.596 HD11 ' CD2' ' A' ' 148' ' ' TYR . 2.7 tp -103.84 116.57 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -135.37 -179.79 16.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.524 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 11.4 t80 -167.39 122.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 15.7 p -144.86 149.53 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 12.2 p -154.42 131.65 11.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.799 ' HG3' ' HD2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -101.2 137.4 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.434 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 37.7 t80 -71.82 131.94 43.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.799 ' HD2' ' HG3' ' A' ' 116' ' ' ARG . 4.9 m-20 -143.96 99.55 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.13 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -61.97 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -113.47 -48.12 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 169.43 82.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.67 -138.74 7.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.2 p80 -156.29 177.45 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.415 ' CE3' ' CD1' ' A' ' 3' ' ' TYR . 9.6 m95 -121.34 163.01 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.023 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.65 141.32 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -152.64 102.97 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.61 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.62 164.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.77 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 7.2 p90 -133.63 119.28 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.474 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 95.9 t -93.96 132.57 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -110.79 158.37 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' TRP . 15.6 p -149.98 129.86 13.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -35.84 -55.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -101.6 -178.43 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' MET . . . . . 0.512 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 7.3 ptt? -62.07 -23.37 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.86 150.9 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.471 ' C ' ' CG2' ' A' ' 138' ' ' THR . 5.8 tp -74.71 136.37 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.9 p -151.81 -166.37 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.66 -156.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.17 -20.52 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 108' ' ' ASN . . . -53.88 -47.29 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -57.81 -34.47 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 40.0 m -70.18 -46.54 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.454 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.7 -38.24 69.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.405 ' CG1' HD22 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -78.88 -34.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 1.2 mm-40 -71.15 -57.93 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -49.6 -54.13 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.596 ' CD2' HD11 ' A' ' 111' ' ' ILE . 21.1 t80 -55.87 -49.65 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.0 mt -56.73 -44.62 81.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.55 -49.33 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.36 35.9 4.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.51 ' HB2' ' CG1' ' A' ' 155' ' ' VAL . 23.6 p -78.09 139.99 61.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -14.25 21.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.578 ' O ' ' C ' ' A' ' 155' ' ' VAL . 0.0 OUTLIER -165.28 -105.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.578 ' C ' ' O ' ' A' ' 154' ' ' VAL . 2.8 p 24.06 88.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.403 ' OD2' ' OH ' ' A' ' 32' ' ' TYR . 1.1 p30 -76.58 105.41 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 14.2 p -61.63 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -52.42 -21.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -44.19 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 6.0 mt -50.99 176.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 90.6 t -149.78 118.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -68.03 161.13 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 59.0 m -39.25 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.93 98.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 24.9 p90 -121.31 -47.77 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 73.06 148.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -33.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.56 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.15 -56.79 15.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -49.62 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.67 123.21 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.597 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 55.7 t80 -97.31 147.14 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 1.1 m-70 -150.12 169.42 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.35 146.37 28.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.2 -132.16 11.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.92 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 0.5 OUTLIER -43.99 140.08 2.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.48 ' CD ' ' HG ' ' A' ' 115' ' ' CYS . 18.4 Cg_endo -74.98 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.26 117.46 17.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.492 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.3 m -150.88 111.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -75.47 112.52 19.46 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 17' ' ' PHE . 16.6 m -55.56 134.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.41 -43.66 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 30.9 p-10 -150.89 92.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CZ ' HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -67.61 135.97 53.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.9 117.9 31.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG22 ' A' ' 54' ' ' VAL . 71.2 m95 -73.26 -22.33 60.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 107.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.534 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -47.45 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 3.0 pm0 -71.25 -95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -36.1 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -173.92 -172.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.64 -147.98 33.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 126.17 37.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.466 ' NE1' ' O ' ' A' ' 23' ' ' HIS . 15.6 m95 -127.41 143.72 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.535 ' CZ3' ' HA ' ' A' ' 42' ' ' CYS . 11.2 m0 -117.82 134.62 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.74 152.01 43.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -123.63 -89.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -103.11 82.05 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 166.93 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 5.1 m-85 -76.2 152.8 84.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 2.99 5.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER 80.62 171.76 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLY . 35.2 t30 -90.4 24.27 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.49 46.55 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 30.1 ttpt -129.74 123.61 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 37.9 p90 178.88 179.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.62 171.22 38.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -118.7 -148.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER 39.86 57.48 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.28 175.5 15.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.9 p90 -138.75 120.24 14.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . -142.06 127.38 18.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -116.76 161.16 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.12 126.76 49.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m -118.43 110.15 39.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 134.57 17.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.27 113.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 88.47 27.44 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 88.8 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.48 179.68 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG22 ' CE3' ' A' ' 19' ' ' TRP . 6.1 m -139.2 119.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.39 148.88 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.59 129.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 4.5 p -131.58 120.37 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -120.72 135.8 55.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -153.56 120.49 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -159.23 -174.8 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 170' ' ' CYS . 3.5 m -115.71 122.36 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -80.58 151.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.585 ' CE1' ' HB1' ' A' ' 169' ' ' ALA . 46.2 m-70 -35.89 87.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 71.24 53.88 9.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -173.96 169.5 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.13 112.87 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 17.0 p90 -129.1 152.09 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -160.61 108.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.77 140.32 49.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -127.83 164.92 21.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 87' ' ' SER . . . 179.61 -140.44 4.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 t -158.88 156.11 28.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' NE2' ' A' ' 86' ' ' HIS . . . -107.2 118.22 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.8 t80 -130.29 148.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.04 122.08 6.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -66.75 -50.56 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.2 -131.4 4.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.85 124.16 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 p -51.52 -47.72 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -55.23 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' LYS . 22.3 mm -40.39 161.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.96 -104.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.99 61.52 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.79 107.18 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.77 135.21 35.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -106.39 124.54 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.58 143.64 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.33 104.3 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 p -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.3 p -148.2 133.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.53 -101.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.27 35.95 3.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 140.04 32.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.7 m -127.1 126.0 42.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -126.52 138.25 53.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.62 120.5 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 86' ' ' HIS . 2.0 m -102.93 138.23 40.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.8 t -99.18 128.45 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.795 ' CE2' ' CZ2' ' A' ' 129' ' ' TRP . 37.7 t80 -129.6 109.73 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -91.29 102.57 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.553 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 10.0 t -73.08 102.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.492 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.4 mt -37.25 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.58 101.78 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.6 t -94.78 152.93 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.44 -12.17 46.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.3 OUTLIER 49.24 47.45 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.03 -67.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.1 OUTLIER -130.24 -43.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -108.59 159.6 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -135.68 136.99 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -117.5 127.11 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . -149.45 116.11 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 20.8 t80 -100.33 124.15 45.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.585 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -127.59 160.82 30.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.48 ' HG ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -156.54 130.76 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -102.3 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 3.8 t80 -93.73 127.59 39.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -104.36 125.02 50.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -55.37 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.32 -59.18 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 117' ' ' TYR . 0.0 OUTLIER 77.51 -56.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.36 -154.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.107 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -143.25 178.14 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 17.4 m95 -143.63 130.88 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -95.55 152.65 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 47.7 m80 -164.61 96.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 7.2 p -97.36 146.01 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.795 ' CZ2' ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -122.29 147.47 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.462 ' CG1' HG23 ' A' ' 29' ' ' VAL . 55.7 t -120.44 124.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 129' ' ' TRP . 9.5 mt -103.92 157.15 17.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.505 ' CB ' HG11 ' A' ' 29' ' ' VAL . 36.9 p -149.99 129.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -38.3 -51.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -106.54 176.47 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -24.84 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.427 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 1.4 t -152.17 128.23 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -75.15 144.52 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.461 ' HA ' ' CD ' ' A' ' 142' ' ' LYS . 9.6 p -144.41 171.68 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.06 -140.21 39.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -54.58 -30.24 53.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.01 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.461 ' CD ' ' HA ' ' A' ' 138' ' ' THR . 1.2 mtpm? -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 9.0 m -68.19 -32.71 73.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.434 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.0 -45.78 75.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.02 -44.03 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 2.5 mm-40 -58.16 -57.58 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -49.68 -51.11 40.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.571 ' CD2' HD12 ' A' ' 111' ' ' ILE . 5.0 t80 -54.25 -55.4 28.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.457 ' O ' ' OG ' ' A' ' 152' ' ' SER . 26.1 mt -57.38 -42.72 82.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mt -51.98 -43.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.42 32.05 5.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 148' ' ' TYR . 10.3 p -78.59 146.26 69.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.457 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.0 -17.85 19.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.562 ' O ' ' C ' ' A' ' 155' ' ' VAL . 0.3 OUTLIER -165.95 -101.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.562 ' C ' ' O ' ' A' ' 154' ' ' VAL . 6.8 p 26.8 87.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 1.8 p30 -80.66 99.65 8.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 1.4 p -48.3 -37.73 17.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -54.61 -18.76 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -96.62 -45.85 6.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 5.2 mt -48.5 177.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 73.1 t -150.32 119.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 163' ' ' SER . 1.3 m-85 -75.11 156.5 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 162' ' ' TYR . 74.5 m -36.87 117.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -170.09 49.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 166' ' ' SER . 42.3 p90 -63.64 -50.27 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.584 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.14 149.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.96 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.1 OUTLIER -45.81 -36.44 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.93 65.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.585 ' HB1' ' CE1' ' A' ' 63' ' ' HIS . . . -84.71 -56.79 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . 0.475 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -64.47 -78.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.9 tttt -48.65 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 170' ' ' CYS . 14.6 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' CE3' ' A' ' 125' ' ' TRP . 1.6 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.538 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 22.5 t80 -115.16 143.56 45.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 26.0 m-70 -153.0 163.7 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -116.47 139.51 50.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.4 -136.39 20.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 179.86 5.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 50.1 m -45.36 152.71 0.62 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HD2' ' CE2' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -75.0 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 5.3 mt-10 -66.51 118.45 10.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 1.4 m -165.88 110.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -76.8 112.3 21.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -74.95 -178.6 4.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.539 HG22 ' CD2' ' A' ' 17' ' ' PHE . 25.3 m -54.68 132.7 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -42.44 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -157.11 82.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.813 ' CZ ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.37 150.01 49.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.24 135.97 54.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 73' ' ' ALA . 37.6 m95 -77.13 -25.71 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.026 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.51 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 3.8 m -58.96 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.652 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -58.64 -101.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.813 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -48.01 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -177.16 -171.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.47 34.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 127.13 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 15.4 m95 -139.44 150.64 45.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.11 162.68 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.63 ' HE2' ' NH1' ' A' ' 58' ' ' ARG . 6.2 mt-10 -92.31 152.4 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -130.47 -96.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -91.67 81.29 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 146.16 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD1' ' CD2' ' A' ' 160' ' ' LEU . 2.7 m-85 -62.16 135.93 95.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -138.89 178.83 1.49 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.11 2.04 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.26 79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -124.52 117.36 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 81.5 m-85 -164.95 168.65 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.55 123.16 0.87 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -146.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.6 m 59.42 57.65 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -145.23 176.5 24.23 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -154.97 132.78 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.12 126.3 29.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 158.73 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.8 m-85 -112.45 125.96 54.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 m -101.94 109.92 60.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.62 6.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.99 49.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.64 -168.19 13.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.47 -29.62 10.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.77 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.047 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.0 118.76 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 149.4 46.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 47' ' ' TYR . 35.8 t -139.45 132.03 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.58 118.74 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.63 ' NH1' ' HE2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -104.38 141.98 35.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -151.18 124.47 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -171.47 -175.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.64 123.48 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.611 ' CD1' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -89.25 106.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.7 m-70 34.51 44.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.43 34.56 9.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -139.88 100.86 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.47 111.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.611 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 32.0 p90 -128.12 147.98 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -151.91 113.73 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttm -120.3 123.51 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.8 165.23 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -178.07 -171.22 41.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.75 143.51 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB2' ' CH2' ' A' ' 19' ' ' TRP . . . -102.33 128.44 48.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 36.0 t80 -145.73 149.55 40.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -62.23 -51.25 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.17 -126.51 3.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.56 115.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.3 p -46.43 -46.08 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 82' ' ' GLY . 1.1 mp -40.75 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.16 -104.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG2' ' CG1' ' A' ' 76' ' ' VAL . 2.1 tttt 45.2 55.3 6.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -104.82 106.95 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.2 p90 -86.76 141.79 28.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -113.54 125.34 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.556 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.79 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.91 106.31 10.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 p -84.96 149.41 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.3 t -150.29 96.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.11 -94.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.95 36.18 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.24 97.99 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -107.13 124.95 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -134.38 143.37 47.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.48 110.48 22.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.3 m -92.8 135.54 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.99 124.83 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.736 ' CE1' ' CE2' ' A' ' 129' ' ' TRP . 24.6 t80 -121.46 110.69 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.26 111.16 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.489 ' CG1' HG12 ' A' ' 14' ' ' VAL . 54.5 t -81.21 95.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.7 mt -36.24 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.92 95.82 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.619 ' CG2' ' CE1' ' A' ' 17' ' ' PHE . 8.8 t -90.82 144.03 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 18.2 m-20 -90.56 -8.93 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.652 ' ND2' HE22 ' A' ' 21' ' ' GLN . 12.4 p30 41.86 32.76 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -48.82 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -150.05 -44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.648 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 1.7 p90 -108.7 148.82 29.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -118.69 123.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.57 HG12 ' CE1' ' A' ' 148' ' ' TYR . 1.2 tp -108.83 120.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.16 160.41 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.54 ' CE2' ' HD2' ' A' ' 9' ' ' PRO . 1.3 t80 -133.74 124.61 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 t -128.25 170.16 13.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 124' ' ' HIS . 4.7 m -156.37 134.56 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 5.6 ptm180 -107.38 113.02 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 2.3 t80 -65.27 125.34 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.589 ' HD2' ' HB2' ' A' ' 121' ' ' LYS . 19.3 p-10 -113.88 98.57 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -19.99 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.05 -59.82 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.589 ' HB2' ' HD2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -97.95 5.57 48.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.1 mttt 77.93 -53.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.37 -137.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 115' ' ' CYS . 1.2 p-80 -157.67 172.61 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CE3' ' O ' ' A' ' 2' ' ' VAL . 84.4 m95 -120.77 163.47 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.452 ' CB ' ' HB ' ' A' ' 2' ' ' VAL . 64.0 t0 -93.16 137.22 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -175.17 98.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.472 HG22 ' CE1' ' A' ' 99' ' ' PHE . 4.9 p -121.27 179.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.736 ' CE2' ' CE1' ' A' ' 99' ' ' PHE . 12.5 p90 -133.66 141.68 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.006 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.519 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 60.8 t -113.8 139.62 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -115.81 159.1 21.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.509 ' CB ' HG11 ' A' ' 29' ' ' VAL . 2.9 t -150.0 150.48 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.9 mtt180 -48.24 -51.78 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -103.43 -172.54 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.66 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.93 153.96 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.493 ' C ' ' CG2' ' A' ' 138' ' ' THR . 4.9 mt -73.34 139.91 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 8.0 p -152.95 -168.94 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 37.55 -158.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -24.95 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -51.92 -43.47 63.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -59.01 -37.83 77.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.1 m -75.85 -37.39 59.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.648 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -54.97 -46.25 75.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.492 ' CG2' HD13 ' A' ' 137' ' ' LEU . 2.1 t -70.52 -47.05 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -54.29 -57.03 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.45 -54.13 41.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 111' ' ' ILE . 8.1 t80 -55.78 -49.62 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 152' ' ' SER . 57.6 mt -55.82 -56.4 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 146' ' ' GLU . 93.7 mt -41.44 -49.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.83 36.21 3.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 149' ' ' LEU . 23.7 p -75.23 123.37 88.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.23 5.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' ASP . 3.3 m -143.86 -43.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.47 HG13 ' CZ ' ' A' ' 148' ' ' TYR . 7.2 p -51.77 92.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.5 OUTLIER -82.46 101.02 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.1 p -46.97 -42.7 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.57 -19.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -92.3 -47.47 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.603 ' CD2' ' CD1' ' A' ' 32' ' ' TYR . 5.6 mt -50.8 173.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.5 t -150.7 127.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.3 156.0 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' VAL . 11.3 p -42.17 163.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 p30 161.03 111.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 14.1 p90 -117.17 -52.96 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER 76.2 147.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -44.9 -36.94 3.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.54 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -83.39 -56.8 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -48.77 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -51.34 112.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 31.1 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 26.1 t80 -106.76 148.32 28.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 12.6 m-70 -156.58 166.62 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -109.9 146.72 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 90.76 -134.04 12.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.448 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -118.82 -177.67 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 22.8 m -48.65 145.93 5.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.82 117.5 17.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.486 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -151.9 114.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -72.07 112.44 14.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.03 161.85 38.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 17' ' ' PHE . 15.7 m -48.01 123.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -32.35 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -154.99 83.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -65.95 146.05 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.61 123.76 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.601 ' CE3' HG23 ' A' ' 54' ' ' VAL . 0.8 OUTLIER -87.25 7.27 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -46.3 -37.22 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -69.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -44.84 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.89 -164.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.85 -147.95 47.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 134.9 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.555 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 13.0 m95 -139.11 132.31 29.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -101.77 131.57 47.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 108.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.8 161.24 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.83 -86.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -118.59 112.92 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -137.21 147.7 46.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.905 ' HH ' ' HD2' ' A' ' 126' ' ' ASP . 20.8 m-85 -38.61 160.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.531 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 5.65 3.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 68.52 166.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.5 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.52 8.38 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.02 44.17 50.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -125.8 -172.2 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 46.0 m-85 -155.51 170.3 22.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.59 121.86 1.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.597 ' CB ' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -140.03 -169.18 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.69 23.29 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.42 175.8 23.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -141.64 123.04 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.06 104.2 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -98.91 159.04 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD2' HG22 ' A' ' 56' ' ' VAL . 34.4 m-85 -123.02 126.81 47.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 m -104.26 110.42 64.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 118.98 5.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.03 51.55 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.96 -171.09 13.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -30.86 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.79 161.93 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG23 ' CE3' ' A' ' 19' ' ' TRP . 30.4 m -135.5 120.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -66.28 148.74 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 47' ' ' TYR . 49.0 t -137.41 124.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.45 118.19 28.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 135.04 53.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -153.38 120.23 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 p30 -156.14 -173.95 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -124.22 134.95 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.593 HD11 ' CD2' ' A' ' 67' ' ' TYR . 71.2 mt -127.87 113.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 38.42 78.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.89 49.83 5.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 108.54 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.15 112.33 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -88.41 160.35 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 5.2 t80 -165.76 146.73 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -173.82 123.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 36.5 mt-10 -128.1 165.64 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 156.06 130.38 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.3 t -73.05 165.91 24.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HB1' ' CH2' ' A' ' 19' ' ' TRP . . . -118.56 114.13 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 47.1 t80 -132.78 148.18 68.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 135.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -79.83 -51.42 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.11 -131.71 5.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.51 114.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -41.96 -58.51 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -47.39 -61.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -50.95 157.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 14' ' ' VAL . . . -61.66 -107.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 44.05 54.08 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 74' ' ' TYR . 1.1 mp -97.03 108.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.09 136.58 33.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' THR . 14.9 m-70 -106.5 121.84 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -84.79 107.93 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 26.5 ptt180 -104.41 119.24 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.457 ' CG2' HG23 ' A' ' 94' ' ' THR . 1.1 p -102.26 142.14 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' GLY . 12.3 t -140.94 90.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.78 -90.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -119.08 28.93 6.4 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t80 -141.71 93.53 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.744 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.457 HG23 ' CG2' ' A' ' 89' ' ' THR . 94.5 m -106.95 139.25 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -147.1 141.11 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.97 109.98 22.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' HIS . 14.9 t -92.88 149.29 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 85' ' ' TYR . 61.7 t -103.26 130.78 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 114' ' ' SER . 42.1 t80 -133.16 110.51 10.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -97.46 108.98 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' LEU . 76.7 t -77.26 102.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.486 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.9 mt -34.57 -86.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.71 100.81 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t -89.27 155.97 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.428 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -91.14 -33.4 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.407 ' ND2' ' C ' ' A' ' 105' ' ' ASP . 2.2 m-80 65.24 39.54 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -55.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -140.64 -48.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.599 ' CD1' ' HB3' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -104.45 157.69 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.611 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -133.57 126.19 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 148' ' ' TYR . 2.1 tp -103.42 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.419 ' C ' HG23 ' A' ' 128' ' ' VAL . . . 175.11 172.12 39.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.584 ' CE2' HG23 ' A' ' 154' ' ' VAL . 19.8 t80 -167.03 114.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 44.3 t -126.25 169.62 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.444 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -156.92 131.14 8.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 108.33 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -98.93 136.74 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 116' ' ' ARG . 4.6 t80 -73.47 141.81 46.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.36 117.21 24.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -59.89 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.47 -61.13 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -67.6 -19.29 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.24 -57.15 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.94 -153.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.6 p80 -140.68 177.05 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.623 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.8 m95 -140.29 137.24 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.905 ' HD2' ' HH ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -99.41 101.55 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -117.06 101.2 8.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 112' ' ' GLY . 14.7 p -116.78 170.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -138.46 131.03 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 97.9 t -94.59 135.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -112.11 159.66 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.415 ' HB2' HG12 ' A' ' 29' ' ' VAL . 2.9 t -150.09 142.14 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 108' ' ' ASN . 24.7 ttp180 -48.28 -27.09 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 -178.9 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -30.66 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.23 145.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.489 ' C ' ' CG2' ' A' ' 138' ' ' THR . 6.9 tp -74.96 143.75 43.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.489 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 4.6 p -152.78 -165.94 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 35.92 -154.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.05 23.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.43 68.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.408 ' HA ' HD21 ' A' ' 137' ' ' LEU . 6.1 mtmt -58.62 -39.45 80.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 96.1 m -67.77 -45.94 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.599 ' HB3' ' CD1' ' A' ' 109' ' ' TYR . . . -54.17 -43.56 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.485 ' HB ' ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.44 -41.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.43 -58.01 9.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.53 -52.33 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.587 ' CD2' HD11 ' A' ' 111' ' ' ILE . 1.9 t80 -52.91 -53.85 43.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.39 -39.28 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.46 -41.28 80.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.01 -3.16 89.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 148' ' ' TYR . 18.7 m -75.48 135.94 71.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.23 14.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 113' ' ' TYR . 16.3 m -141.19 -123.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 152' ' ' SER . 3.1 p 35.78 84.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.23 104.11 11.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.462 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 4.1 p -56.11 -39.9 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -53.45 -22.51 7.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -45.79 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.514 HD21 ' CD1' ' A' ' 32' ' ' TYR . 6.4 mt -48.79 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 56.1 t -147.43 129.53 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 163' ' ' SER . 3.9 m-85 -74.0 161.93 29.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 89.8 p -38.23 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.5 OUTLIER 161.44 92.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.597 ' CD1' ' CB ' ' A' ' 41' ' ' LYS . 1.2 p90 -120.68 -50.04 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 82.53 149.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -34.34 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.04 67.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -81.64 -57.7 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 24.1 t -48.47 -45.64 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 108.353 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -56.67 125.03 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -105.81 111.0 23.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -99.98 165.45 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.44 144.58 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.26 -140.58 19.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.54 -173.7 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.521 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 1.8 t -44.36 137.21 3.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' HG ' ' A' ' 115' ' ' CYS . 18.4 Cg_endo -75.03 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.8 111.98 16.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.7 m -141.51 110.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.23 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -76.92 113.27 28.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG11 ' CG1' ' A' ' 101' ' ' VAL . 20.4 m -56.02 138.99 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.14 -41.06 90.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -160.61 90.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.717 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.52 132.69 48.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.91 111.66 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CE3' HG23 ' A' ' 54' ' ' VAL . 64.1 m95 -62.91 -20.37 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m -48.4 -65.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -72.49 -99.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -36.7 101.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -176.48 -156.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.04 -130.91 42.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 136.1 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.7 m95 -138.98 149.88 45.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -122.52 145.87 47.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 mt-10 -74.64 147.0 41.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -117.93 -91.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -108.34 106.93 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 2.5 ptpt -125.97 -172.92 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OD1' ' A' ' 156' ' ' ASP . 1.7 m-85 -90.12 144.46 31.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -75.01 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 50.8 173.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.11 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.27 -21.95 62.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 62.9 77.88 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.8 105.77 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CA ' HG12 ' A' ' 62' ' ' ILE . 38.9 p90 178.34 159.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.05 -177.62 20.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' NZ ' ' HG2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -140.77 45.26 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -144.32 59.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.04 177.29 25.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.8 p90 -137.81 118.45 14.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -113.74 120.58 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.95 161.03 15.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.42 134.49 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -124.75 111.36 27.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 125.84 9.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.2 52.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.87 -173.09 14.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -45.32 -31.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 162.08 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.566 HG23 ' CE3' ' A' ' 19' ' ' TRP . 13.3 m -132.81 115.55 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.88 148.83 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.97 140.03 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -131.51 117.97 19.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -153.48 119.73 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HD2' HG13 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -155.63 -174.38 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 169' ' ' ALA . 21.3 t -106.48 119.04 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD13 ' CB ' ' A' ' 67' ' ' TYR . 5.3 mt -106.93 113.18 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 m170 44.89 72.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.53 70.67 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.74 119.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.6 119.02 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -126.75 160.23 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 11.0 t80 -165.98 115.24 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.96 115.8 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.06 167.15 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.51 128.6 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 14.9 t -71.26 163.58 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.414 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.31 115.41 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.6 t80 -130.16 148.66 70.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.94 126.17 9.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.35 -49.8 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 76' ' ' VAL . . . -116.28 -131.23 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 6.4 m-20 -44.67 111.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.0 t -39.03 -48.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -55.99 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.03 150.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.1 -103.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 tptt 44.11 55.06 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.434 HG21 ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -101.41 108.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -87.25 138.59 31.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -101.95 115.02 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 114.47 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.69 119.04 38.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.478 ' CG2' HG22 ' A' ' 94' ' ' THR . 0.7 OUTLIER -111.49 135.4 52.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.44 ' HB ' ' CB ' ' A' ' 93' ' ' TYR . 62.1 t -129.83 167.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -39.45 -39.92 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.38 27.47 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.44 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -139.47 98.02 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.478 HG22 ' CG2' ' A' ' 89' ' ' THR . 25.9 m -117.02 130.31 56.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -152.82 142.36 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -96.57 111.4 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 20.4 m -93.12 142.08 27.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 85' ' ' TYR . 52.5 t -104.71 128.35 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 53.1 t80 -126.51 110.11 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.89 102.72 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 17' ' ' PHE . 48.5 t -74.18 96.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 101' ' ' VAL . 8.3 mt -36.88 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.04 105.93 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.522 HG22 ' CZ ' ' A' ' 17' ' ' PHE . 2.6 t -97.89 151.92 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' ASN . 7.8 t0 -95.1 -4.81 45.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 7.2 p30 38.72 45.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.7 -59.0 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.87 -46.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CD1' ' HB2' ' A' ' 144' ' ' ALA . 2.1 p90 -111.34 152.44 27.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.576 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -123.01 125.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 148' ' ' TYR . 1.0 OUTLIER -106.6 129.99 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -159.52 120.06 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 154' ' ' VAL . 25.2 t80 -98.21 143.2 28.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.436 ' C ' ' SG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -144.76 166.59 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.062 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.521 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -157.37 158.21 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 122.44 27.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -79.87 133.82 36.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -119.4 126.28 51.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.83 -51.74 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -49.88 -57.48 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -20.04 61.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp 80.16 -54.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.53 -144.92 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -153.23 176.85 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.594 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -128.74 152.84 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.042 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.893 ' HD2' HG23 ' A' ' 128' ' ' VAL . 22.2 t0 -102.32 114.96 29.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -123.13 99.99 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.893 HG23 ' HD2' ' A' ' 126' ' ' ASP . 96.7 t -112.99 147.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.798 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.1 p90 -136.23 123.28 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 72.7 t -105.49 138.41 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 130' ' ' VAL . 9.8 mt -113.64 160.39 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.527 ' CB ' HG11 ' A' ' 29' ' ' VAL . 1.6 t -150.4 144.78 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.8 OUTLIER -43.2 -59.14 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 m -103.69 176.97 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -25.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 2.4 t -150.34 129.85 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.51 146.58 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' ALA . 1.3 p -143.69 -178.81 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.43 -136.97 21.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -18.0 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 138' ' ' THR . . . -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -68.31 -37.05 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 147' ' ' ASN . 39.1 m -72.25 -38.9 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.598 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . . . -53.1 -45.63 68.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.31 -52.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.37 -54.74 12.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -53.7 -49.54 67.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.574 ' O ' ' N ' ' A' ' 152' ' ' SER . 2.0 t80 -56.29 -52.42 64.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.57 ' CD2' ' CG1' ' A' ' 155' ' ' VAL . 43.0 mt -49.65 -35.33 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.1 -50.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -83.16 6.33 72.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 148' ' ' TYR . 24.9 p -76.63 139.67 67.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.422 ' C ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.96 -37.49 2.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 113' ' ' TYR . 2.2 m -151.64 110.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 149' ' ' LEU . 2.9 t -166.23 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.528 ' OD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.81 94.65 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 26.0 p -62.3 -45.59 92.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -53.71 -27.14 26.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.48 -42.53 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' A' ' 155' ' ' VAL . 4.0 mt -45.0 168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 47.5 t -149.65 130.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 1.7 m-85 -82.88 161.02 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.412 ' HA ' ' CE ' ' A' ' 41' ' ' LYS . 3.6 m -38.76 127.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 165' ' ' PHE . 30.8 m-20 -172.25 43.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 10.5 p90 -37.66 -51.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 4.1 t 72.54 149.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 171' ' ' LYS . 5.4 mt-10 -45.14 -35.98 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.36 68.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -83.89 -57.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -78.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.4 tptt -52.95 119.64 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 61' ' ' VAL . 68.8 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 25.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 12.3 t80 -116.98 100.29 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.37 162.08 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.3 138.32 52.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.54 -135.05 12.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -97.41 167.9 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' ALA . 12.3 m -40.65 150.95 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.25 115.99 24.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -141.58 111.75 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -64.85 110.73 4.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 167.78 26.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 17' ' ' PHE . 5.5 m -56.6 132.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -38.45 88.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -154.01 90.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.806 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.01 130.93 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.79 109.31 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 73' ' ' ALA . 70.7 m95 -62.12 -30.59 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 107.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -48.96 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 1.6 pt20 -86.96 54.28 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.806 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 168.59 84.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.621 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.4 -160.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.61 -142.69 47.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.82 121.8 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 8.7 m95 -132.47 107.24 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -75.85 126.41 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.97 161.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -126.94 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -110.94 118.73 36.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -146.15 147.8 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -52.53 141.16 34.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 2.01 7.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER 77.02 173.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -41.75 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -89.27 25.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 33.69 39.17 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -130.32 120.18 23.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 4.1 p90 -172.37 165.66 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.21 147.22 18.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -143.52 39.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -165.51 61.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.98 177.82 16.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 p90 -139.49 119.44 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.48 160.6 37.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.1 160.88 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CG ' HG23 ' A' ' 56' ' ' VAL . 9.9 m-85 -118.75 119.87 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -100.81 110.61 61.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 118.28 5.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 54.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.78 -171.86 13.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -46.74 -31.61 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.16 161.52 13.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 19' ' ' TRP . 29.5 m -132.39 116.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.46 149.42 50.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' CG ' ' A' ' 47' ' ' TYR . 77.9 t -142.35 139.01 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' HG11 ' A' ' 56' ' ' VAL . 39.4 m -131.01 119.41 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -107.85 138.17 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.2 119.23 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -176.32 -175.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.0 132.23 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.555 HD11 ' CD2' ' A' ' 67' ' ' TYR . 58.7 mt -105.18 110.53 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 40.95 70.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.75 62.6 5.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -172.27 112.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.13 113.8 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -114.47 164.17 14.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -164.62 125.44 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 138.58 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.7 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.71 167.05 25.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 t -111.72 155.72 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.448 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HB3' ' CH2' ' A' ' 19' ' ' TRP . . . -107.27 112.47 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.4 t80 -125.35 148.55 61.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.559 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 77' ' ' GLY . 1.2 t -58.14 -47.28 87.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG11 ' A' ' 76' ' ' VAL . . . -121.48 -133.03 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -46.38 115.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -42.78 -44.48 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.0 -72.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mp -46.23 150.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.4 -104.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 40.5 66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -111.15 112.56 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -89.05 137.61 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t60 -103.58 120.02 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.0 118.94 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -112.13 115.58 29.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 94' ' ' THR . 0.9 OUTLIER -102.64 140.11 37.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 89' ' ' THR . 10.6 t -151.71 170.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -39.41 105.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 42.03 33.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -146.16 94.34 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' HG21 ' A' ' 89' ' ' THR . 2.4 m -123.46 124.68 43.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -139.91 146.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -95.58 113.79 25.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 86' ' ' HIS . 8.4 m -94.0 143.96 25.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.6 t -102.05 135.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 101' ' ' VAL . 42.8 t80 -131.36 111.3 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.07 108.77 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.552 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 51.5 t -90.69 98.8 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' VAL . 12.0 mt -38.07 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -165.28 85.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.534 ' HG1' ' ND2' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -49.23 165.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.4 -28.97 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.534 ' ND2' ' HG1' ' A' ' 104' ' ' THR . 2.2 m-80 62.45 63.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 13.0 m-20 -161.65 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.775 ' CE2' ' CG2' ' A' ' 145' ' ' VAL . 1.7 t80 -102.39 146.67 27.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.61 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -117.08 131.22 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.575 HD11 ' CD2' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -104.99 153.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -174.52 177.71 46.57 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.578 ' CE2' HG21 ' A' ' 154' ' ' VAL . 44.2 t80 -160.74 123.47 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.01 172.21 8.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -145.38 129.86 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.4 112.2 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.425 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 4.3 t80 -63.82 108.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.67 98.73 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 52.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -115.94 -49.45 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 165.29 119.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.29 -146.03 18.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.6 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 26.5 p-80 -162.15 178.48 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 35.3 m95 -126.47 164.76 20.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 107.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.49 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -108.57 135.03 50.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -149.17 107.47 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.647 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 129' ' ' TRP . 10.1 p -118.56 149.42 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TRP . . . . . 0.438 ' N ' HG21 ' A' ' 128' ' ' VAL . 7.8 p90 -106.25 123.15 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 107.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.6 ' CG1' ' CE2' ' A' ' 109' ' ' TYR . 59.2 t -98.14 129.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -116.57 143.79 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.48 ' CB ' HG21 ' A' ' 29' ' ' VAL . 29.8 t -144.11 142.09 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -53.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.1 m -102.55 -178.34 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.85 1.96 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 138' ' ' THR . 1.2 t -140.15 141.42 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.77 131.09 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -152.57 -167.55 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.65 -168.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -46.97 -23.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.482 ' HB2' ' CD2' ' A' ' 137' ' ' LEU . . . -52.27 -40.18 61.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -62.71 -33.71 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.7 m -69.54 -41.28 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -53.77 -40.26 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.775 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 2.5 t -74.51 -45.97 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 150' ' ' ILE . 0.5 OUTLIER -55.85 -57.85 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.67 -55.22 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.576 ' CE2' HG13 ' A' ' 155' ' ' VAL . 10.4 t80 -56.89 -49.2 76.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.4 mt -55.76 -57.92 9.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 149' ' ' LEU . 85.5 mt -38.96 -49.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.34 43.39 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -65.79 114.45 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.57 9.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -152.21 -43.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -50.97 110.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 106.8 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 149' ' ' LEU . 34.8 p -59.51 -47.34 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -53.48 -19.13 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.69 -38.56 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 161' ' ' VAL . 3.6 mt -50.55 163.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.535 HG12 ' HD2' ' A' ' 164' ' ' ASP . 97.1 t -138.25 144.54 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' SER . 8.1 m-85 -102.2 161.28 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 93.7 p -37.12 105.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.535 ' HD2' HG12 ' A' ' 161' ' ' VAL . 44.2 p-10 -159.04 82.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' A' ' 166' ' ' SER . 32.6 p90 -115.17 -46.93 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.81 147.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.2 OUTLIER -45.6 -34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.34 66.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -71.65 -57.29 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -55.25 -62.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 167' ' ' GLU . 22.7 tttt -39.43 126.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 1.2 m -133.88 106.65 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.565 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 29.9 t80 -115.33 147.7 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 19.1 m-70 -151.49 170.56 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.55 146.23 29.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.22 -140.29 22.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -112.68 -168.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 144.38 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.704 ' HD3' ' HG ' ' A' ' 115' ' ' CYS . 18.4 Cg_endo -75.02 -170.75 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.74 116.82 20.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.2 m -149.14 112.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 113.63 27.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.419 1.747 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 82' ' ' GLY . 8.3 m -54.03 135.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.77 -41.37 92.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 26.5 p-10 -151.61 91.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.37 134.05 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.51 125.04 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.557 ' CE3' HG22 ' A' ' 54' ' ' VAL . 4.9 m95 -85.07 6.17 26.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.483 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 1.2 m -47.14 -62.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -99.47 -49.18 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CD1' ' CD1' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.36 84.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.61 -168.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.64 -136.59 16.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.31 125.43 50.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.506 ' NE1' ' O ' ' A' ' 23' ' ' HIS . 17.5 m95 -127.5 152.23 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -130.57 139.67 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.953 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.22 152.49 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -126.48 -88.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -105.12 89.89 3.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -123.23 131.28 53.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.731 ' HH ' ' HD2' ' A' ' 156' ' ' ASP . 22.0 m-85 -31.92 136.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.453 ' CB ' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.03 4.12 5.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.49 171.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -65.8 -26.04 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 75.27 82.15 0.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 1.8 pttt -129.41 115.02 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 41.7 m-85 -162.38 168.24 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.82 102.96 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 37.9 tttm -91.55 72.57 5.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 t -163.03 46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.92 177.57 17.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -138.24 118.69 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -126.55 139.76 52.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.66 161.02 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD2' HG23 ' A' ' 56' ' ' VAL . 16.3 m-85 -119.81 114.56 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.1 m -108.5 132.37 21.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.73 18.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 41.16 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 66.99 88.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 87.14 -47.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 157.13 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.557 HG22 ' CE3' ' A' ' 19' ' ' TRP . 27.9 m -131.41 114.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -64.45 149.27 48.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 47' ' ' TYR . 54.5 t -142.45 124.54 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -122.21 118.82 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -110.99 136.21 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.35 120.21 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -158.33 -177.74 6.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 52.9 t -111.38 100.95 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.488 ' CD1' ' CG ' ' A' ' 67' ' ' TYR . 83.7 mt -83.88 117.04 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.4 m170 38.45 79.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.23 61.54 0.98 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.71 115.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.41 112.71 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.488 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -113.77 160.9 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -164.9 125.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.86 112.81 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.48 174.44 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 165.31 127.74 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 t -74.96 150.61 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . . . -104.87 112.64 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.5 t80 -125.68 149.16 64.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 121.24 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 77' ' ' GLY . 1.2 t -61.89 -52.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 76' ' ' VAL . . . -126.56 -121.45 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 118.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -53.94 -43.66 70.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 6.3 mttt -56.23 -78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.9 mm -43.02 157.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -57.39 -104.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.22 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -112.94 108.59 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -84.11 139.01 32.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.4 m-70 -104.62 119.97 40.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -116.47 110.41 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.413 HG21 ' CG2' ' A' ' 94' ' ' THR . 2.1 p -90.34 148.94 22.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.442 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.87 133.47 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.5 -102.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.63 37.94 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.87 147.41 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.413 ' CG2' HG21 ' A' ' 89' ' ' THR . 51.6 m -129.52 136.12 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -128.87 136.63 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -95.6 107.0 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' HIS . 40.4 m -92.61 133.92 35.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 115.33 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.456 ' CE2' HG23 ' A' ' 101' ' ' VAL . 21.7 t80 -115.2 109.92 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -87.99 107.88 18.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 17' ' ' PHE . 54.2 t -82.09 98.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 11.7 mt -37.49 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.48 122.44 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 t -105.75 156.21 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -96.76 -12.21 23.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.468 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 49.02 57.09 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -134.17 -77.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -140.58 14.32 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -154.36 155.42 35.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.66 ' CD1' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -143.48 133.99 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.594 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.9 OUTLIER -111.5 168.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 179.71 -172.15 43.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 154' ' ' VAL . 5.6 t80 -168.28 130.85 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.25 23.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.704 ' HG ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -136.47 122.29 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -94.16 142.4 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.459 ' CZ ' ' O ' ' A' ' 122' ' ' LYS . 48.0 t80 -87.21 138.34 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.81 117.24 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -16.17 60.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -87.76 -9.29 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 9.7 tptt 80.75 -58.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.67 -138.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-80 -156.21 172.66 18.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -126.48 164.27 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.443 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 9.6 t70 -107.03 147.44 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.8 106.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 3.0 p -138.09 167.07 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.45 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 1.8 p90 -148.94 148.83 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.509 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 55.7 t -109.78 135.54 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.617 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -112.12 154.08 25.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.472 ' CB ' HG21 ' A' ' 29' ' ' VAL . 10.8 t -150.13 112.12 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -36.24 -42.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 m -102.83 148.41 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' MET . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.46 -21.01 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.425 HG12 ' CG2' ' A' ' 138' ' ' THR . 14.3 t -129.04 133.23 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.483 ' CD2' HG23 ' A' ' 145' ' ' VAL . 4.2 tp -75.67 121.2 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.425 ' CG2' HG12 ' A' ' 136' ' ' VAL . 6.4 p -148.9 -177.58 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 57.24 -164.82 6.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.21 -23.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 108' ' ' ASN . . . -55.55 -44.47 76.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -39.12 73.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.412 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 85.9 m -63.41 -48.29 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.614 ' HB3' ' CE1' ' A' ' 109' ' ' TYR . . . -55.98 -43.91 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.483 HG23 ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.0 -31.99 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.416 ' N ' HG13 ' A' ' 145' ' ' VAL . 1.3 mm-40 -70.91 -56.29 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -50.99 -52.48 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.594 ' CE1' HG12 ' A' ' 111' ' ' ILE . 26.8 t80 -54.37 -53.99 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 152' ' ' SER . 34.2 mt -56.0 -57.13 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 96.9 mt -40.46 -49.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.59 40.4 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.9 p -68.23 114.01 18.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 113' ' ' TYR . 1.2 m -141.14 -44.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.559 ' CG1' ' CZ ' ' A' ' 148' ' ' TYR . 8.4 p -54.03 89.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.731 ' HD2' ' HH ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -75.63 103.07 5.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 4.2 p -54.01 -41.29 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.07 -19.18 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -42.36 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -53.33 172.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.453 HG11 ' CB ' ' A' ' 33' ' ' PRO . 10.5 p -149.57 125.4 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 163' ' ' SER . 5.1 m-85 -69.78 161.82 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 162' ' ' TYR . 80.3 p -36.07 145.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.9 t0 176.38 83.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.9 p90 -117.17 -47.97 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 71.24 148.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -34.81 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.08 -39.09 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.26 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.27 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.44 120.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 84.6 t -104.64 151.27 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -62.59 102.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 44.03 80.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -178.39 157.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 175' ' ' SER . 16.1 t30 40.39 83.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 -43.96 140.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.32 173.86 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 180' ' ' PRO . 0.1 OUTLIER -113.04 141.4 25.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 179' ' ' HIS . 18.2 Cg_endo -75.03 -172.9 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -148.51 -166.01 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -155.19 157.95 38.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -135.14 129.11 33.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m -99.57 99.87 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -119.46 114.64 22.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -130.33 154.66 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -108.19 143.28 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' ' ND1' ' A' ' 124' ' ' HIS . . . 97.06 -136.93 13.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.96 169.21 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.2 m -45.84 156.01 0.47 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.239 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -171.22 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.3 mt-10 -77.7 124.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.5 m -160.74 116.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -75.13 113.15 22.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.96 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG13 ' CG1' ' A' ' 101' ' ' VAL . 27.8 m -55.66 136.95 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 7.4 p-10 -66.82 -41.68 87.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -155.93 87.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.703 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -66.15 128.82 37.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -116.74 127.15 54.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ3' HG23 ' A' ' 54' ' ' VAL . 2.8 m95 -85.55 6.73 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -57.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.07 -55.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.703 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -56.75 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.456 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.29 -175.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.97 -147.18 24.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -86.16 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.471 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 23.8 m95 -136.24 155.68 49.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 25' ' ' LYS . 9.8 m0 -138.53 140.3 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 24.4 mt-10 -60.01 155.94 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG13 ' CB ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -132.41 -91.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -102.52 99.45 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -132.09 171.88 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD1' HD21 ' A' ' 160' ' ' LEU . 20.2 m-85 -71.41 134.39 84.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -43.73 167.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.61 21.52 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.0 77.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.43 121.94 41.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -156.5 175.8 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.62 114.36 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 165' ' ' PHE . 13.8 ttmm -117.99 57.6 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -162.58 57.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.45 177.21 21.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -126.71 118.52 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -141.25 139.64 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -144.57 158.57 43.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.557 ' CE2' HG22 ' A' ' 56' ' ' VAL . 20.5 m-85 -107.86 128.3 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -118.72 110.49 38.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.73 14.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -174.16 125.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 74.05 25.59 70.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 88.94 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 159.55 20.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.586 HG23 ' CZ3' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -119.55 115.22 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.4 148.92 50.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -141.42 128.85 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.3 m -129.84 118.28 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -110.57 139.6 45.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.447 ' HE1' ' HE2' ' A' ' 66' ' ' GLU . 1.9 t80 -153.4 120.73 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.728 ' HD2' HG13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.71 -175.09 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.2 m -115.49 100.14 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.728 HG13 ' HD2' ' A' ' 60' ' ' ASP . 40.1 mt -84.29 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER 38.99 66.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.628 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.28 63.28 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.21 125.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' HE2' ' HE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -60.38 120.11 9.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -124.0 159.07 30.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 19.5 t80 -165.55 121.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 ttp -138.44 107.14 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.6 pt-20 -104.35 168.56 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 169.69 164.11 24.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.05 143.08 47.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB1' ' NE2' ' A' ' 86' ' ' HIS . . . -96.69 112.76 24.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 48.0 t80 -127.14 148.6 66.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -74.99 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -67.68 -50.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.44 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -118.54 -127.82 3.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -44.7 107.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -38.2 -50.99 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -54.93 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 15' ' ' ASP . 9.6 mm -38.73 157.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.36 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 44.67 54.09 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -102.49 110.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -91.86 138.62 31.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' THR . 3.8 m-70 -102.15 122.04 43.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.56 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 114.31 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.2 114.56 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.454 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.6 p -93.02 148.9 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 93' ' ' TYR . 5.7 t -146.62 93.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . 36.45 62.98 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.77 -34.92 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 90' ' ' VAL . 4.1 t80 -75.89 93.05 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' HG22 ' A' ' 89' ' ' THR . 21.0 m -99.51 124.98 45.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 142.84 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -96.51 107.82 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 86' ' ' HIS . 7.7 m -97.27 128.91 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 118.32 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 101' ' ' VAL . 8.6 t80 -121.04 110.14 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -92.71 119.49 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 99' ' ' PHE . 55.4 t -87.11 103.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.3 mt -38.07 -87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -155.26 111.0 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.583 HG23 ' CE1' ' A' ' 17' ' ' PHE . 3.3 t -101.14 151.16 22.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -94.37 -1.15 54.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER 38.59 63.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -133.55 -42.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.665 ' CD2' ' CG2' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -109.67 160.55 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.588 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -138.43 141.66 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.569 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -122.73 137.93 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -157.7 125.03 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 154' ' ' VAL . 9.8 t80 -94.16 113.25 25.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.25 168.03 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.4 129.22 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 128.88 53.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -68.31 128.29 36.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' LYS . 0.4 OUTLIER -101.4 109.96 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -52.65 52.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.168 . . . . 0.0 110.35 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.7 -57.08 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -13.55 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER 78.79 -60.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.44 -136.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 6' ' ' GLY . 32.3 p-80 -158.97 170.69 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -126.25 155.37 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.51 ' OD1' ' CE2' ' A' ' 113' ' ' TYR . 1.1 t70 -101.74 99.4 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.62 100.79 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.532 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 113' ' ' TYR . 53.5 t -94.42 138.98 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 6.7 p90 -125.12 121.56 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.496 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 72.6 t -103.28 141.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -118.04 158.29 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' VAL . 26.2 t -150.45 153.27 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -55.32 -48.68 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -105.1 164.28 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -56.03 -25.8 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.91 142.06 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.506 ' C ' ' CG2' ' A' ' 138' ' ' THR . 1.8 mt -75.74 140.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.506 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 1.3 p -154.02 -169.24 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 39.62 -160.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -48.28 -26.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . . . -54.78 -34.23 62.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -71.9 -34.31 69.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -78.1 -33.48 50.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.654 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.45 -45.56 76.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.665 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 77.2 t -71.86 -49.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.42 -55.76 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -53.62 -54.31 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.569 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 2.3 t80 -56.8 -47.31 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 145' ' ' VAL . 34.7 mt -57.36 -54.77 43.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.8 mt -40.54 -49.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -98.11 36.73 3.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 155' ' ' VAL . 11.3 p -70.65 128.81 90.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -121.67 -38.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 152' ' ' SER . 4.0 p -51.59 103.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.73 101.16 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 12.0 p -46.68 -43.52 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.33 -19.99 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -49.96 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 32' ' ' TYR . 6.5 mt -44.65 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 11.9 p -151.46 141.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 10.7 m-85 -84.34 158.39 21.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.0 p -39.44 157.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.51 98.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.528 ' CG ' ' HB3' ' A' ' 41' ' ' LYS . 29.4 p90 -118.63 -47.58 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 74.02 149.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -34.69 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.39 -38.46 63.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -69.39 -55.7 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.05 -52.68 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -58.59 108.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 175' ' ' SER . 7.6 p -106.52 151.51 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 174' ' ' ASN . 7.1 p-10 -85.04 103.61 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 173' ' ' ASN . 0.9 OUTLIER 44.05 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 172' ' ' VAL . 0.6 OUTLIER -163.63 -61.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -101.71 64.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -54.36 134.44 45.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.036 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.4 t -175.26 153.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -40.01 100.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.62 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.85 21.7 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.772 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.98 -166.91 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -137.8 163.15 32.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.2 129.17 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.6 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.63 101.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 35.0 t80 -100.99 150.17 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 24.7 m-70 -153.18 166.18 33.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.99 142.94 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 79.4 -136.1 16.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.39 -169.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 7.3 m -50.62 143.87 13.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -170.47 0.78 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -73.71 117.8 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.3 m -151.82 115.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -75.57 113.37 25.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 170.18 20.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' CA ' ' A' ' 82' ' ' GLY . 14.7 m -54.59 137.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -42.0 93.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -155.83 95.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.91 160.02 24.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.67 124.07 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CE3' HG23 ' A' ' 54' ' ' VAL . 1.4 m95 -83.95 4.09 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -49.57 -38.83 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -116.92 -63.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.669 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.25 93.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -177.24 -165.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.98 -140.65 30.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 6.8 mtpt -98.1 125.06 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.487 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 13.4 m95 -130.48 171.71 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.03 144.69 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 6.0 mm-40 -66.76 147.91 52.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG13 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -115.01 -86.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -106.71 91.82 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -121.07 155.02 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -53.77 133.46 56.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' CD ' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.04 2.79 6.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER 57.65 179.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.05 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -111.53 14.19 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 51.52 97.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.78 96.71 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.16 156.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 138.08 9.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -106.17 44.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 61.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.76 177.24 32.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -134.7 143.46 47.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -135.03 111.58 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.5 161.77 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 56' ' ' VAL . 7.3 m-85 -121.93 126.64 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -105.87 110.95 64.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.28 8.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 42.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.81 -169.67 16.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -49.11 -30.77 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.87 160.41 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CE3' ' A' ' 19' ' ' TRP . 14.6 m -136.65 113.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 149.41 43.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -145.81 135.1 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 15.3 m -127.62 117.03 21.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -112.18 133.21 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -153.85 120.17 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 1.3 p-10 -146.88 -175.54 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.3 m -111.62 98.71 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 HD12 ' CD2' ' A' ' 67' ' ' TYR . 43.4 mt -87.26 120.43 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . 39.7 m170 39.09 76.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.78 69.26 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -177.09 114.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 112.61 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.48 ' CD2' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -106.81 168.07 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 45.1 t80 -164.8 129.5 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 ttm -153.75 98.54 2.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -97.36 168.38 10.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 168.24 127.37 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 11.4 t -73.31 168.25 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 86' ' ' HIS . . . -116.04 128.16 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.5 t80 -142.87 147.46 41.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.98 135.91 19.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.2 t -75.54 -48.03 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.45 -120.15 2.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.48 112.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -47.45 -45.52 25.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ILE . 11.9 mttp -56.5 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -38.53 155.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.504 ' CA ' HG23 ' A' ' 14' ' ' VAL . . . -56.51 -107.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 43.81 61.05 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -108.51 114.05 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -93.67 143.18 26.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 97' ' ' THR . 10.3 m170 -103.78 154.62 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.25 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -104.03 133.14 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -105.91 146.85 29.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 t -140.21 88.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.68 62.86 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.84 -35.99 3.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.01 98.11 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -97.38 137.63 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -138.03 140.59 40.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -96.39 110.87 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.0 t -92.76 142.78 26.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.1 t -97.29 123.62 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.784 ' CE2' ' CE2' ' A' ' 129' ' ' TRP . 0.1 OUTLIER -113.22 109.82 19.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.68 106.29 18.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 102' ' ' LEU . 73.2 t -87.55 92.52 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -33.1 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.18 96.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.421 ' OG1' HG13 ' A' ' 110' ' ' ILE . 6.3 t -92.35 146.98 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.2 t0 -77.61 -34.73 53.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 105' ' ' ASP . 2.0 m-80 70.76 61.81 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.64 -63.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -130.92 -45.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.656 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -106.13 160.07 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.624 HD13 ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -138.83 134.44 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.687 ' CD1' ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -116.41 140.98 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 129' ' ' TRP . . . -165.41 149.65 16.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 154' ' ' VAL . 8.6 t80 -128.32 114.51 16.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 3.4 p -123.19 135.78 54.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.596 ' HG ' ' CE1' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -134.56 150.56 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.748 ' HE ' ' HD2' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -133.07 128.93 37.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.22 110.88 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.748 ' HD2' ' HE ' ' A' ' 116' ' ' ARG . 37.4 m-20 -118.52 97.58 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 59.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -78.76 -62.66 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -116.05 -50.81 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 169.99 81.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.81 -144.62 12.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.596 ' CE1' ' HG ' ' A' ' 115' ' ' CYS . 6.6 p80 -151.68 179.25 8.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -122.3 164.48 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -122.33 164.96 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.429 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 1.3 t60 -170.07 116.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 129' ' ' TRP . 55.4 t -95.09 139.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.784 ' CE2' ' CE2' ' A' ' 99' ' ' PHE . 23.3 p90 -108.12 103.2 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 22.0 t -98.02 102.45 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -96.74 154.66 17.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' VAL . 1.3 t -149.49 150.91 33.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -51.34 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.3 m -104.67 172.89 6.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -59.41 -23.42 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.55 148.29 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 141' ' ' ALA . 0.6 OUTLIER -74.14 134.14 42.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.2 p -148.34 -178.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.9 -172.07 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.45 -26.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 137' ' ' LEU . . . -52.81 -39.6 62.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -36.32 70.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 0.9 OUTLIER -77.1 -37.25 54.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.656 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -54.43 -45.59 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.588 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.4 t -71.99 -45.54 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 4.9 mm-40 -54.22 -55.41 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -52.23 -55.04 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.687 ' CD2' ' CD1' ' A' ' 111' ' ' ILE . 10.2 t80 -55.96 -50.72 70.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 83.1 mt -55.48 -56.84 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.32 -49.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.04 41.1 2.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -67.81 124.72 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -29.87 7.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.5 OUTLIER -148.69 -47.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.532 ' CG2' ' CD1' ' A' ' 160' ' ' LEU . 2.2 p -53.31 93.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.1 p30 -73.43 107.65 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 6.6 p -58.73 -43.33 90.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.47 -24.49 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.72 10.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' A' ' 155' ' ' VAL . 3.3 mt -45.36 167.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.473 HG11 ' CD ' ' A' ' 33' ' ' PRO . 9.8 p -150.04 145.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 11.5 m-85 -90.0 161.95 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 34.8 m -35.79 139.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.29 66.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 52.9 p90 -88.21 -47.74 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.506 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 73.13 149.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.42 -34.63 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.2 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -78.88 -46.85 17.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . 0.517 ' SG ' ' CE2' ' A' ' 165' ' ' PHE . 1.2 m -58.04 -63.83 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 108.266 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.61 118.11 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 10.7 p -110.86 146.91 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -57.46 115.95 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.11 128.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.91 173.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 40.52 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -89.54 169.86 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 94.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.32 106.26 55.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.02 9.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.11 -158.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -160.85 161.08 31.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.62 118.94 17.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.413 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 51.2 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 1' ' ' ASP . 5.1 m -157.81 97.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 39.5 t80 -109.5 153.63 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 33.3 m-70 -151.64 168.0 26.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -109.37 137.96 46.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.618 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 76.47 -131.66 11.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -111.28 -172.9 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 115' ' ' CYS . 58.9 m -45.84 150.54 0.98 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.2 mt-10 -81.91 125.15 30.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.4 m -162.52 113.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -67.35 111.73 8.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' GLY . 24.0 m -53.85 124.68 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.43 -37.85 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -155.55 83.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -66.42 153.47 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -146.78 132.15 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CE3' HG23 ' A' ' 54' ' ' VAL . 5.7 m95 -86.53 4.38 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -62.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -89.42 -88.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -35.23 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -177.68 -169.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.641 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.19 -137.4 23.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -82.33 118.78 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.677 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 18.5 m95 -145.97 142.23 28.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.473 ' CZ3' ' O ' ' A' ' 40' ' ' GLY . 6.1 m95 -133.46 149.71 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 6.6 mt-10 -55.55 144.21 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG13 ' CB ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -111.08 -83.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -126.51 119.25 26.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -150.59 170.19 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 3.0 m-30 -58.53 135.01 85.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.2 Cg_endo -75.01 130.24 13.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -50.55 175.13 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.98 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.35 24.45 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.34 82.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 137.95 50.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -163.11 174.68 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . . . -171.45 119.95 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 2.2 ttmt -111.31 -152.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 28.0 p 41.96 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.4 177.16 29.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.471 ' N ' ' CE3' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -108.36 126.15 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -127.63 142.29 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -155.18 161.49 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 56' ' ' VAL . 7.8 m-85 -123.15 134.6 54.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -111.79 109.9 55.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.13 63.13 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -164.42 25.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -29.95 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.69 158.69 15.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.555 HG23 ' CE3' ' A' ' 19' ' ' TRP . 3.5 m -136.29 114.63 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 149.38 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.566 HG21 ' CD2' ' A' ' 47' ' ' TYR . 41.1 t -131.55 136.54 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.2 p -131.48 138.1 48.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -141.5 157.22 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.61 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -155.47 -178.14 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.49 114.25 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.545 HD11 ' CD2' ' A' ' 67' ' ' TYR . 34.3 mt -97.58 122.89 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.7 m170 40.25 62.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 68.03 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -173.49 122.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.89 113.12 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.5 t80 -117.32 165.34 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 17.4 t80 -153.67 139.11 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.2 ttt -134.8 116.91 15.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.67 169.66 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.36 165.73 21.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.3 t -116.4 151.97 34.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.525 ' HB2' ' CH2' ' A' ' 19' ' ' TRP . . . -114.53 112.35 22.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 29.7 t80 -132.53 149.19 72.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 0.9 OUTLIER -64.05 -52.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.98 -124.26 3.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.89 122.1 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -53.39 -46.65 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 4.6 mm -41.97 160.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -63.8 -102.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 48.37 47.13 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.256 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -97.92 107.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 85' ' ' TYR . 5.2 p90 -85.8 136.15 33.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.2 m-70 -98.13 126.93 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.409 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 20.0 m -83.69 108.29 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.78 136.26 54.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -99.83 147.31 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 93' ' ' TYR . 40.8 t -143.9 123.14 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.05 63.37 0.76 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.61 41.93 57.55 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 2.3 t80 -142.83 93.91 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.1 m -69.15 130.86 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -133.86 138.01 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -95.49 106.32 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.8 m -95.35 133.15 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.1 t -90.28 122.56 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 t80 -124.4 109.17 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -89.74 116.56 27.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.521 HG23 ' CE2' ' A' ' 99' ' ' PHE . 72.9 t -86.98 101.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -38.73 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -166.96 98.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.49 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.9 t -91.03 155.73 18.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.453 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -82.05 -36.37 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.461 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 4.4 m-80 72.74 52.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.81 -67.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.436 ' CB ' ' CB ' ' A' ' 141' ' ' ALA . 1.3 m-80 -143.27 15.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.636 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -159.09 149.85 19.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.677 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 1.2 mp -141.36 127.06 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.59 ' CD1' ' CD2' ' A' ' 148' ' ' TYR . 0.4 OUTLIER -105.51 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 170.79 -174.04 44.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 154' ' ' VAL . 15.0 t80 -167.11 115.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 0.719 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -117.78 164.06 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.523 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 4.9 p -155.66 151.66 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -122.44 131.93 54.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -77.91 137.79 38.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.83 111.01 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -43.41 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.28 -59.15 5.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -18.5 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 mptt 73.95 140.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.54 -134.19 15.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.7 p80 -158.21 162.12 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -112.88 158.8 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 42.0 m-20 -95.58 159.07 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -175.89 88.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.633 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 129' ' ' TRP . 3.2 p -106.51 163.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.415 ' N ' HG21 ' A' ' 128' ' ' VAL . 3.5 p90 -146.81 138.2 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 92.3 t -120.09 124.06 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -101.33 153.34 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.49 ' CB ' HG13 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -149.3 142.73 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -42.25 -53.72 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 136' ' ' VAL . 7.0 m -100.28 151.62 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' MET . . . . . 0.452 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 1.2 ptp -42.03 -26.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -121.81 156.22 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 141' ' ' ALA . 0.6 OUTLIER -75.07 133.57 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 6.7 p -152.4 -176.92 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.56 -171.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.86 -26.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 137' ' ' LEU . . . -53.34 -28.57 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -72.79 -35.22 67.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -71.52 -38.54 71.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.636 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -54.95 -45.19 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.542 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 3.9 t -70.7 -46.01 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.74 -49.9 64.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -51.95 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 111' ' ' ILE . 8.5 t80 -54.9 -49.77 70.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 145' ' ' VAL . 27.5 mt -50.69 -56.55 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.8 mt -46.09 -49.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.18 42.13 2.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 155' ' ' VAL . 19.3 m -67.52 125.23 90.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.99 -21.89 15.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -166.13 -38.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.497 HG13 ' CE2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -51.34 116.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.78 101.09 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 12.7 p -50.16 -46.34 54.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -53.36 -28.3 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -38.95 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 1.3 mt -47.43 168.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 32.4 t -151.0 144.18 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -92.4 161.3 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.0 m -46.64 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 159.07 105.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 166' ' ' SER . 25.9 p90 -115.58 -46.79 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 12.6 m 69.43 150.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.06 -34.14 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.67 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -77.39 -57.3 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -56.92 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -47.19 118.09 2.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.14 151.21 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.21 105.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.08 143.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.63 169.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.049 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 39.3 t30 50.85 83.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.7 155.25 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.28 146.06 47.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.75 96.76 11.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.591 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.23 14.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -138.78 -157.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -152.8 153.47 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.39 119.49 26.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 11.0 tptp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -158.97 98.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.533 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 3.9 t80 -116.18 138.76 50.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.533 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 10.1 m-70 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.62 136.63 49.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.11 -134.17 12.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.17 -168.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 77.3 m -50.53 157.35 1.28 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HG2' ' CE1' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -75.02 -171.07 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.0 mt-10 -81.37 120.63 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 6.6 m -158.83 113.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -70.92 112.82 14.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 178.47 7.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 17' ' ' PHE . 18.7 m -55.82 133.62 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -66.18 -35.35 80.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -158.77 96.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.56 159.39 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -158.02 121.52 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.8 m95 -86.34 6.22 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.979 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -46.16 -44.46 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.83 -85.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.646 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -29.58 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.54 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -177.07 -161.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.41 -138.19 33.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -96.73 132.12 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 110' ' ' ILE . 16.0 m95 -139.33 137.2 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.478 ' CZ3' ' HE3' ' A' ' 135' ' ' MET . 36.3 m0 -115.34 141.19 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' CB ' ' HD2' ' A' ' 41' ' ' LYS . 13.8 mt-10 -59.41 156.21 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 132' ' ' SER . 0.1 OUTLIER -128.59 -88.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -106.38 92.08 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 -172.81 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.509 ' CD1' HG11 ' A' ' 128' ' ' VAL . 2.5 m-85 -88.06 141.72 31.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 51.7 173.61 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 t30 -106.11 26.99 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 35.91 76.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 100.46 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.427 ' N ' HG23 ' A' ' 62' ' ' ILE . 36.4 p90 179.16 165.98 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.68 170.56 23.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -139.92 40.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.66 67.64 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -147.27 177.13 25.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -119.73 122.85 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -119.94 97.88 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -100.04 159.46 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 56' ' ' VAL . 11.4 m-85 -123.52 133.65 53.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -113.7 110.48 49.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.27 12.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.97 50.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.84 -173.24 14.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -45.83 -31.68 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.82 158.1 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG21 ' CE3' ' A' ' 19' ' ' TRP . 2.5 m -133.1 119.97 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 149.09 31.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 HG21 ' CE2' ' A' ' 47' ' ' TYR . 76.0 t -137.71 122.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 m -122.28 118.32 28.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.63 138.94 51.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.67 120.28 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.26 177.94 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.444 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 22.1 m -104.44 98.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.492 HD11 ' CD2' ' A' ' 67' ' ' TYR . 74.3 mt -73.88 114.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m170 39.74 77.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 40.91 59.61 2.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.49 117.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 114.74 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -127.16 160.63 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 9.7 t80 -165.45 128.62 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.3 mmt -145.48 124.65 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.9 pt-20 -122.7 167.24 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -179.22 -145.31 6.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 t -158.77 144.5 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 112.43 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 47.5 t80 -127.96 148.57 67.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.99 135.44 19.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 t -79.79 -51.03 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.15 -123.4 2.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -44.2 112.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -50.33 -41.5 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -56.92 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mm -46.22 157.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' CA ' HG23 ' A' ' 14' ' ' VAL . . . -53.96 -106.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.5 55.9 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.93 111.35 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -90.87 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' NH1' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -100.5 120.55 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.603 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 124.13 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' NH1' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -119.35 105.78 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.16 148.88 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' GLY . 45.9 t -142.45 168.39 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.34 -49.26 1.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.92 32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.8 94.22 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 m -116.39 120.01 37.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -137.9 146.53 43.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -95.57 113.29 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' HIS . 18.6 m -92.92 135.97 33.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.0 t -100.01 117.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE2' HG21 ' A' ' 101' ' ' VAL . 16.8 t80 -118.51 110.16 17.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -93.56 102.36 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.573 HG21 ' CE2' ' A' ' 99' ' ' PHE . 85.7 t -70.68 96.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.9 mt -34.08 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 108.53 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.425 HG22 ' ND2' ' A' ' 106' ' ' ASN . 10.2 t -100.78 139.81 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.99 -16.31 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.425 ' ND2' HG22 ' A' ' 104' ' ' THR . 0.9 OUTLIER 49.2 71.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -75.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.53 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -124.95 -40.02 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -112.36 162.98 14.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.606 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -143.94 135.29 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.588 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -108.95 172.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . 174.79 -175.41 46.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 154' ' ' VAL . 21.0 t80 -166.76 113.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.83 171.13 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.458 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -157.83 126.66 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.504 ' CE1' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t80 -64.98 134.05 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.71 96.33 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.504 ' OE1' ' CE1' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -76.1 51.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.13 -60.46 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 18.64 16.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.39 74.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.16 -138.67 5.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 115' ' ' CYS . 7.5 p80 -163.68 179.39 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -125.54 161.9 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -97.31 158.86 15.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.77 102.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.549 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 32' ' ' TYR . 1.6 p -105.2 163.49 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.453 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 3.1 p90 -139.87 141.33 36.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 107.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.502 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 42.4 t -119.9 138.07 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -115.45 160.85 19.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.486 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 12.4 p -146.76 160.5 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 108' ' ' ASN . 3.8 ttp180 -64.08 -56.51 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 m -105.69 -173.75 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' MET . . . . . 0.478 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -62.59 -11.81 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -159.61 110.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -65.2 145.15 56.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 10.7 p -144.6 177.41 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.91 -146.67 48.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -26.63 43.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 137' ' ' LEU . . . -56.28 -45.82 79.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -60.7 -40.12 91.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 95.7 m -65.23 -37.69 88.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.659 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -53.65 -45.53 70.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.499 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.6 t -72.84 -50.69 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -55.99 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.72 -54.4 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.588 ' CE1' HG12 ' A' ' 111' ' ' ILE . 17.2 t80 -56.92 -50.85 71.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.477 ' CD1' HG11 ' A' ' 145' ' ' VAL . 84.7 mt -56.35 -54.56 44.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 22.1 mt -40.33 -50.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.07 38.6 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 5.7 p -69.2 117.12 49.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.744 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.33 11.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.571 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -149.41 -43.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.549 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 6.8 p -52.52 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 154' ' ' VAL . 2.2 p30 -74.71 103.49 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 3.3 p -54.26 -37.73 65.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -54.25 -18.35 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -46.72 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -47.54 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 53.4 t -150.77 121.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 2.1 m-85 -67.55 162.16 23.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -36.33 124.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -173.77 68.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 166' ' ' SER . 42.4 p90 -84.71 -48.95 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.598 ' N ' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 72.91 149.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 171' ' ' LYS . 3.0 mt-10 -45.91 -35.03 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.16 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -79.78 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 171' ' ' LYS . 1.2 t -54.68 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -38.45 127.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.97 151.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -84.57 115.06 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 67.16 172.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.5 176.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 44.77 85.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -66.29 168.26 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.73 174.6 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -75.1 149.37 84.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.614 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 181' ' ' GLN . 18.2 Cg_endo -75.01 135.82 19.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 180' ' ' PRO . 1.6 mm100 79.9 158.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -152.67 149.28 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -135.2 129.15 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 m -144.35 104.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 73.3 t80 -86.26 158.9 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 53.8 m-70 -155.07 170.44 21.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -105.27 139.26 40.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 -134.66 18.52 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.77 -171.02 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 56.2 m -46.43 140.29 5.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -77.96 123.58 26.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -158.35 115.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -75.88 114.18 34.5 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.27 29.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.595 HG23 ' CD2' ' A' ' 17' ' ' PHE . 16.1 m -49.08 135.06 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -66.29 -42.99 87.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -154.31 86.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.602 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.46 129.6 40.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -119.56 123.26 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.415 ' CH2' ' HB2' ' A' ' 73' ' ' ALA . 30.6 m95 -69.76 -14.77 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -56.13 10.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' CD ' ' HB3' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -106.09 54.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 175.31 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -175.64 -160.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.92 -145.55 49.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 2.8 mtpm? -82.45 126.52 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.9 m95 -140.95 140.95 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -120.9 130.16 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.85 157.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -120.07 -83.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -123.21 106.03 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 32' ' ' TYR . 13.2 ptmt -133.53 135.87 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.9 m-85 -32.36 134.8 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.016 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' CB ' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -146.1 172.51 5.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.84 6.47 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.88 94.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 mttt -115.92 100.14 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 70.3 m-85 -162.59 160.1 25.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.58 113.71 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -105.57 72.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 m -173.0 46.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -135.19 177.26 19.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -134.83 129.87 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -132.7 165.46 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -155.86 152.2 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CG ' HG22 ' A' ' 56' ' ' VAL . 9.4 m-85 -107.92 115.64 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 92.0 m -105.74 118.04 56.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 121.6 6.69 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.549 1.815 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.5 45.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 73.44 87.27 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.3 tttt 87.05 -48.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.7 158.67 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.5 112.13 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.1 mttt -72.32 147.16 46.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG22 ' CG ' ' A' ' 47' ' ' TYR . 87.4 t -132.61 132.0 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.28 117.67 23.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 142.88 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -152.64 119.91 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 67' ' ' TYR . 2.5 p-10 -156.31 -176.02 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 172' ' ' VAL . 10.2 p -123.81 97.69 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 67' ' ' TYR . 5.0 mt -74.34 121.85 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m170 63.59 -96.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.75 35.54 1.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -142.26 126.64 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.69 112.52 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -105.04 162.62 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 8.5 t80 -165.46 133.77 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mtt -144.05 155.48 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 27.0 mt-10 -140.75 166.53 24.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 172.63 148.26 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -110.88 151.71 27.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB3' ' NE2' ' A' ' 86' ' ' HIS . . . -109.8 117.74 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 38.8 t80 -132.09 148.98 71.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.593 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.02 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -56.3 -52.86 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.78 -118.74 2.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.46 113.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -48.38 -50.86 29.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -53.32 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.49 155.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.16 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt 43.63 65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.68 107.98 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -81.31 134.82 35.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.459 ' O ' ' CG2' ' A' ' 97' ' ' THR . 1.4 m-70 -100.65 128.11 46.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -83.87 114.56 21.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -109.31 107.3 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.449 HG23 ' CG2' ' A' ' 94' ' ' THR . 0.9 OUTLIER -88.58 138.46 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 91' ' ' GLY . 86.7 t -136.71 167.43 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' ' CG1' ' A' ' 90' ' ' VAL . . . -40.03 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 52.42 31.33 35.54 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.03 101.66 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 89' ' ' THR . 3.7 m -115.58 137.19 52.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 6.8 tptt -149.46 144.86 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.3 mptt -95.76 111.5 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 86' ' ' HIS . 8.7 t -93.31 144.25 25.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.89 125.06 46.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 101' ' ' VAL . 50.3 t80 -122.1 109.74 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -86.6 104.32 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 99' ' ' PHE . 41.2 t -82.16 98.27 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.6 mt -38.75 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.81 129.09 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -111.58 170.16 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.431 ' N ' ' OG1' ' A' ' 104' ' ' THR . 1.6 t0 -97.64 -7.46 30.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.409 ' HB3' ' CD ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 43.91 53.94 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -67.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.92 19.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.631 ' CE1' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -155.88 152.15 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.601 HD13 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -145.97 128.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.541 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -115.52 170.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 128' ' ' VAL . . . -174.38 -177.02 43.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.569 ' CE2' HG21 ' A' ' 154' ' ' VAL . 7.5 t80 -167.26 112.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 24.3 p -130.36 151.71 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -147.67 143.99 28.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.325 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -109.13 120.92 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -73.41 120.77 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.671 ' HD2' ' HB2' ' A' ' 120' ' ' ASP . 9.3 t0 -105.96 117.75 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -18.65 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.671 ' HB2' ' HD2' ' A' ' 118' ' ' ASP . 0.8 OUTLIER -73.52 -50.19 22.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -89.26 -12.75 39.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 79.4 -54.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.7 -141.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -159.85 173.6 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -134.16 135.35 43.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.79 155.86 16.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.89 116.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.636 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 0.2 OUTLIER -128.31 163.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.492 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 7.5 p90 -131.92 126.1 33.3 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.525 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 91.6 t -94.74 132.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -115.45 152.92 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.453 ' CB ' HG13 ' A' ' 29' ' ' VAL . 4.2 t -150.35 159.12 44.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -55.93 -50.89 69.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -104.12 -168.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -0.86 55.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.07 147.07 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.489 ' C ' ' CG2' ' A' ' 138' ' ' THR . 1.3 mt -75.05 134.08 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.489 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 4.5 p -152.79 -174.61 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.23 -169.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -46.98 -24.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.488 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . . . -53.58 -38.5 63.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -63.0 -35.27 79.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 2.3 m -72.21 -38.96 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . . . -55.34 -47.2 76.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.571 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 4.4 t -69.36 -43.08 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 3.2 mm-40 -56.42 -57.86 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -54.5 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.541 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 3.0 t80 -56.8 -48.65 77.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.481 ' CD1' HG11 ' A' ' 145' ' ' VAL . 23.4 mt -56.9 -56.9 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -39.67 -50.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.53 40.85 2.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.8 p -68.37 114.0 18.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.403 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.01 -13.44 21.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -165.33 -42.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.517 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 7.5 p -54.34 93.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -78.99 107.22 11.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 6.1 p -58.03 -45.39 87.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.24 -20.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -92.63 -47.05 7.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -46.41 171.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.462 HG11 ' CB ' ' A' ' 33' ' ' PRO . 8.5 p -150.2 130.61 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 163' ' ' SER . 22.6 m-85 -77.75 160.77 28.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' VAL . 19.8 m -39.38 159.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.8 m-20 161.49 104.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 26.0 p90 -120.29 -46.02 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.508 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 83.36 144.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.96 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.19 -34.54 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.13 -33.29 57.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.99 -55.19 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -34.38 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -75.03 144.87 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.425 ' CG2' HG23 ' A' ' 61' ' ' VAL . 56.0 t -133.22 151.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -73.19 104.87 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 m120 43.02 88.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 -71.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -100.77 64.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -46.02 134.06 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 168.46 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.43 18.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -173.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -149.36 -166.48 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.42 163.83 31.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.56 121.73 23.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 13.2 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.569 ' HB3' ' CD2' ' A' ' 127' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.49 130.9 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.43 153.47 20.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -146.87 171.17 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 11.6 t0 -102.4 141.63 34.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 73.33 -144.07 33.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -117.15 -167.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 m -51.94 136.29 37.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 108.331 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.87 121.99 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.464 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.3 m -155.17 113.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.39 113.41 25.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' LEU . 18.2 Cg_endo -75.0 169.99 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 17' ' ' PHE . 3.4 m -55.05 123.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -157.78 88.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD2' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.21 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -123.15 116.64 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 2.8 m95 -84.1 7.38 18.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.056 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -62.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -98.49 -46.6 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.17 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -177.67 -178.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.59 -138.83 14.46 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -105.64 122.48 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' A' ' 110' ' ' ILE . 15.2 m95 -127.23 167.9 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -141.91 132.54 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HE2' ' HA ' ' A' ' 163' ' ' SER . 0.0 OUTLIER -39.87 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 132' ' ' SER . 1.2 t -119.18 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.487 ' H ' ' HB ' ' A' ' 29' ' ' VAL . . . -121.93 95.72 4.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 165.87 14.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CD1' HD21 ' A' ' 160' ' ' LEU . 38.2 m-85 -60.75 139.55 93.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.97 128.95 11.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.27 167.39 1.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -90.19 19.24 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.23 79.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.4 mttt -129.77 138.47 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 13.2 m-85 -155.34 174.88 14.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.0 113.64 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -105.55 -142.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.2 p 42.24 41.27 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.23 177.46 20.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 59' ' ' TYR . 1.9 p90 -122.05 119.93 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -136.1 98.73 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.55 159.21 15.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CE2' HG23 ' A' ' 56' ' ' VAL . 5.9 m-85 -121.27 117.96 28.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -98.0 109.91 53.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.16 13.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -152.8 48.72 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.19 -171.88 13.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -31.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.55 152.6 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.83 141.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -85.43 147.86 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.578 HG23 ' CE2' ' A' ' 47' ' ' TYR . 99.1 t -135.14 133.87 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.7 p -131.37 117.87 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.626 HH21 ' HD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -115.64 133.74 55.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.96 120.65 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.626 ' HD2' HH21 ' A' ' 58' ' ' ARG . 4.0 p30 -167.67 172.59 9.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -101.56 116.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.548 HD13 ' CG ' ' A' ' 67' ' ' TYR . 26.2 mt -104.53 118.78 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 38' ' ' LYS . 47.3 m170 45.73 77.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.81 60.35 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 115.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.9 112.84 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CG ' HD13 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -111.1 165.01 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 58' ' ' ARG . 69.2 t80 -164.76 149.08 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ttm -166.79 117.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 5.7 pt-20 -118.63 169.47 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 163.5 161.26 12.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.7 t -110.6 148.17 32.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 114.49 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 30.8 t80 -129.55 146.67 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.95 129.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -78.17 -49.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.43 -129.81 5.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -49.14 113.09 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 74.3 m -39.06 -55.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 9.0 ptpt -54.22 -55.91 23.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.452 ' N ' ' CG ' ' A' ' 80' ' ' LYS . 22.3 mm -52.79 151.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.62 -105.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 41.55 55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -100.87 111.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.6 p90 -91.81 130.64 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.555 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -94.91 121.61 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.596 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -80.13 119.27 22.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' NE2' ' A' ' 86' ' ' HIS . 2.2 mtp180 -98.57 106.43 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.53 142.51 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.99 169.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -36.59 -44.14 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.7 36.7 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.68 104.4 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.7 m -117.17 116.74 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -133.67 138.14 45.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 1.3 mtpt -95.43 112.92 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.454 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 53.6 m -97.32 141.55 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.7 132.41 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 101' ' ' VAL . 50.2 t80 -131.4 110.47 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.5 108.89 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 99' ' ' PHE . 50.7 t -88.72 102.31 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -34.72 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.45 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -166.33 103.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.68 155.64 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -86.77 0.37 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' ASP . 1.1 p30 38.75 68.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -75.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.522 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -128.14 -39.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -108.47 160.57 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -135.64 137.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 148' ' ' TYR . 1.8 tp -118.27 142.56 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.437 ' C ' HG23 ' A' ' 128' ' ' VAL . . . -155.26 179.06 31.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.531 ' CZ ' HG23 ' A' ' 154' ' ' VAL . 8.2 t80 -165.25 113.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 80.5 p -129.04 157.1 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.4 145.69 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -106.09 122.91 47.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.98 128.12 34.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.605 ' OD1' ' CD1' ' A' ' 125' ' ' TRP . 7.5 p-10 -143.89 98.96 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.94 53.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -86.08 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.34 12.56 17.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.18 73.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.25 -151.22 7.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.0 p80 -163.15 157.56 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.605 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 54.6 m95 -107.38 125.38 51.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.09 134.97 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -167.25 128.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.437 HG23 ' C ' ' A' ' 112' ' ' GLY . 5.8 p -132.67 179.95 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.456 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 8.7 p90 -142.34 120.11 11.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.029 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.52 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 60.9 t -93.63 140.46 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -116.96 140.39 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.52 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 12.5 p -122.78 141.79 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -57.61 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m -105.7 -163.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -27.48 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.92 157.54 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.509 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 9.4 tp -74.5 135.15 42.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.482 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 4.9 p -152.89 -169.84 3.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 41.66 -153.77 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.083 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -20.65 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -56.15 -43.79 78.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -65.0 -31.34 72.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.8 m -69.81 -51.0 37.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 109' ' ' TYR . . . -54.4 -44.91 72.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -69.91 -32.62 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.7 -58.15 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -50.08 63.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.591 ' CD2' HD11 ' A' ' 111' ' ' ILE . 36.8 t80 -55.23 -53.96 49.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 152' ' ' SER . 51.7 mt -55.63 -55.37 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 83.1 mt -40.01 -48.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.05 40.69 2.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.6 p -68.11 112.98 12.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -21.13 16.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.531 HG23 ' CZ ' ' A' ' 113' ' ' TYR . 2.4 m -156.54 -44.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 160' ' ' LEU . 7.5 p -53.23 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.77 108.32 8.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 9.9 p -59.8 -44.8 93.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -53.92 -19.83 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -47.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 155' ' ' VAL . 5.5 mt -48.55 174.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 34.8 t -150.4 122.16 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.3 m-85 -68.19 161.13 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.508 ' HA ' ' HE2' ' A' ' 28' ' ' GLU . 12.7 m -42.62 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 163' ' ' SER . 3.7 m-20 159.8 88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.0 p90 -110.0 -47.85 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER 65.58 149.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -34.32 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.07 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -70.0 -55.38 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.2 m -57.24 -57.56 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -54.45 119.68 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 173' ' ' ASN . 48.4 t -120.35 145.73 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.407 ' N ' HG13 ' A' ' 172' ' ' VAL . 48.9 m-20 -57.56 120.75 8.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.85 125.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.7 m 64.05 170.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.68 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.63 165.21 12.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.027 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.89 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -143.81 76.5 15.49 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.83 36.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -144.83 -159.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -161.21 168.15 24.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -135.31 129.14 33.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.4 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.643 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 11.9 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.6 150.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 2.6 p90 -73.06 122.2 21.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 35.6 m-70 -90.82 173.14 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.92 149.21 24.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 -138.15 18.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -105.2 -168.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 62.9 m -70.18 147.01 95.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -170.34 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -85.01 127.08 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.0 m -155.26 115.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -75.3 113.79 29.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.0 30.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' GLY . 4.2 m -54.1 138.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.04 -42.94 88.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 32.3 t30 -158.29 91.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 115.11 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.434 ' CZ3' HG22 ' A' ' 54' ' ' VAL . 53.6 m95 -62.91 -21.8 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.046 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -48.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 5.5 pm0 -95.17 55.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 175.43 83.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.72 -164.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 70.64 -146.03 41.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -92.27 118.31 30.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.6 m95 -121.52 148.72 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.42 116.87 23.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' HE2' ' HB2' ' A' ' 129' ' ' TRP . 2.7 mt-10 -44.46 158.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG1' ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -119.93 -86.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -124.96 123.96 41.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.58 159.07 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 1' ' ' ASP . 2.8 m-85 -49.58 130.52 19.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 129.9 12.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -46.75 173.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -91.92 24.87 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.19 83.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -128.88 132.26 47.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 15.9 m-85 -156.89 176.06 13.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.54 118.86 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -111.63 80.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -168.16 72.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.08 176.88 33.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 p90 -132.27 121.34 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -136.37 142.53 43.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -142.6 151.18 41.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.562 ' CD2' HG21 ' A' ' 56' ' ' VAL . 10.2 m-85 -105.62 104.84 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.0 m -93.54 131.39 32.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 131.63 14.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 48.47 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 59.23 87.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 86.54 -48.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.8 155.12 18.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 4.9 m -129.42 110.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.9 mtpt -66.22 134.46 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 47' ' ' TYR . 68.2 t -129.96 130.72 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -131.89 118.09 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mtp180 -113.56 136.69 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.08 119.49 5.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -159.51 -175.25 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 61' ' ' VAL . 17.9 m -115.55 99.19 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.499 HD11 ' CG ' ' A' ' 67' ' ' TYR . 27.8 mt -87.86 117.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 40.71 79.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 36.94 51.69 1.53 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.28 108.6 2.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -60.91 112.86 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.499 ' CG ' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -102.54 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.07 133.74 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -160.45 119.67 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -126.97 170.43 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.83 175.21 38.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.429 ' CG2' ' HG2' ' A' ' 55' ' ' LYS . 76.7 p -119.16 127.82 53.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -83.35 111.92 19.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.6 t80 -128.24 149.33 71.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 126.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.23 -49.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.09 -132.61 4.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.74 115.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -43.08 -48.33 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -54.29 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.58 150.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -51.8 -106.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 45.2 58.94 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -109.49 112.81 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.564 ' CD1' ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -96.44 144.22 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' THR . 13.1 m-70 -102.33 132.58 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 11.8 t -80.31 109.71 15.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 12.2 ptm180 -103.53 125.17 49.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.504 ' CG2' ' OG1' ' A' ' 94' ' ' THR . 1.1 p -100.23 137.37 38.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' GLY . 1.5 t -121.84 162.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.8 57.81 0.35 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 173.94 -55.28 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -149.32 161.76 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.504 ' OG1' ' CG2' ' A' ' 89' ' ' THR . 16.2 m -102.91 140.08 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 4.5 tptt -125.46 143.52 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -96.28 112.68 24.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' HIS . 38.1 m -93.14 125.53 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.57 128.81 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.763 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 87.7 t80 -133.6 110.07 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -83.05 128.69 34.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.534 HG21 ' CE2' ' A' ' 99' ' ' PHE . 54.3 t -101.24 101.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.511 HD11 ' CE1' ' A' ' 148' ' ' TYR . 10.5 mt -39.8 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.27 116.57 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.537 HG22 ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -104.57 160.32 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -8.68 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 3.4 m-80 46.64 55.25 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 -70.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -143.62 21.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.601 ' CD2' ' CG2' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -159.61 145.63 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.607 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -141.26 133.99 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.3 149.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -164.82 126.69 1.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.564 ' CE2' HG22 ' A' ' 154' ' ' VAL . 7.0 t80 -107.94 113.06 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 17.6 t -126.92 155.13 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.665 ' HG ' ' CE1' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -156.56 142.64 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 117' ' ' TYR . 2.4 tpt180 -126.73 131.82 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.421 ' N ' ' HD2' ' A' ' 116' ' ' ARG . 44.0 t80 -81.27 117.6 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 120' ' ' ASP . 1.5 m-20 -138.44 128.68 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 44.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -111.08 -48.16 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 163.95 -33.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.98 -151.56 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.665 ' CE1' ' HG ' ' A' ' 115' ' ' CYS . 1.3 p-80 -101.02 174.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 109.625 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -117.35 113.89 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -94.84 103.02 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 115.29 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 113' ' ' TYR . 24.9 t -104.16 153.23 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.763 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -137.8 138.15 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 50.0 t -120.73 121.68 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 129' ' ' TRP . 5.5 mt -103.18 153.12 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.8 t -149.28 158.15 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.21 -17.19 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -175.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.03 4.39 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 131.08 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.508 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 2.2 mt -72.7 137.22 45.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 18.8 p -151.63 -169.33 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.02 -156.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.07 -23.94 22.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 108' ' ' ASN . . . -54.91 -29.52 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 138' ' ' THR . 1.5 mtmm -75.69 -26.01 57.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.3 m -82.99 -39.9 20.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.558 ' HB3' ' CE1' ' A' ' 109' ' ' TYR . . . -55.06 -46.39 75.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.601 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 2.7 t -71.62 -47.06 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -57.03 12.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.46 -54.47 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.537 ' CZ ' HG12 ' A' ' 155' ' ' VAL . 16.8 t80 -56.75 -49.37 75.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 145' ' ' VAL . 28.2 mt -56.12 -57.23 13.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LEU . 79.2 mt -39.4 -49.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.28 40.66 2.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.4 p -67.78 127.99 93.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.52 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.564 HG22 ' CE2' ' A' ' 113' ' ' TYR . 6.8 m -149.33 -43.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 7.2 p -51.88 102.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.29 103.96 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.4 p -54.4 -37.78 65.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.51 -16.67 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.9 OUTLIER -104.93 -39.94 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 32' ' ' TYR . 3.5 mt -44.99 169.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 3.4 t -147.31 136.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.473 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 2.8 m-85 -86.81 162.21 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.2 m -41.52 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.8 m-20 157.12 101.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 166' ' ' SER . 21.3 p90 -120.6 -48.12 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 79.96 146.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -35.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.05 -38.11 62.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.76 -54.92 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.63 -48.43 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.68 110.73 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.7 t -99.44 147.34 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.77 104.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 46.07 82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.33 155.56 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 45.81 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -49.01 158.26 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.94 -179.3 6.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 112.42 65.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -144.68 -159.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -161.1 144.86 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -135.24 128.88 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -147.75 99.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 87.5 t80 -112.91 147.74 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 37.9 m-70 -148.34 168.92 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.655 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.77 142.7 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.94 -144.06 33.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -91.32 176.96 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 59.2 m -40.89 152.32 0.25 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -171.27 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.814 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 9.1 mt-10 -75.53 124.51 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 3.6 m -162.06 110.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 112.43 21.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 82' ' ' GLY . 13.8 m -56.84 130.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -66.06 -38.86 89.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -152.6 94.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -68.16 130.25 42.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.79 112.15 22.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.427 ' CE3' HG22 ' A' ' 54' ' ' VAL . 28.9 m95 -69.27 -11.11 60.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 4.9 pm0 -102.34 62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 175.78 83.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.636 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.83 -164.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 -146.71 44.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 12.0 mtmt -79.97 118.87 22.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.7 m95 -135.78 134.93 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.463 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 6.8 m0 -117.83 127.85 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 15.2 mt-10 -46.0 155.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -121.84 -90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -106.54 101.33 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -128.6 168.0 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE1' HD21 ' A' ' 160' ' ' LEU . 25.8 m-85 -74.51 131.64 79.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.1 Cg_endo -74.98 114.04 3.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.94 171.39 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.94 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -84.05 7.66 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.82 76.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 14.1 ttpt -131.0 135.1 47.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 25.7 m-85 -166.04 171.58 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.62 108.09 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -104.26 80.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -172.28 42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -131.41 178.9 17.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -136.99 118.82 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -119.23 156.87 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.1 m-85 -102.19 124.68 48.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -99.71 109.56 55.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 50.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -164.88 12.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.39 163.17 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' CE3' ' A' ' 19' ' ' TRP . 4.5 m -135.1 124.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 149.24 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.57 HG22 ' CD2' ' A' ' 47' ' ' TYR . 46.9 t -139.43 136.38 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.0 m -131.22 117.62 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 4.0 ttm180 -106.55 140.34 39.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.75 120.27 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.609 ' HD2' HG13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -160.38 -175.28 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -115.37 98.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.609 HG13 ' HD2' ' A' ' 60' ' ' ASP . 73.7 mt -81.08 117.02 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 m170 40.97 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.583 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 39.01 59.2 1.78 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.12 117.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.51 113.2 3.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.483 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -115.46 164.67 13.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -165.07 133.35 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.3 mmt -147.76 113.5 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 170.09 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 167.48 137.47 2.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 t -96.36 150.84 20.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.97 112.0 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 35.7 t80 -125.0 148.49 60.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.67 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.61 -126.78 2.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.14 111.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.7 p -45.85 -45.49 15.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.0 mttm -55.51 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -42.6 164.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.59 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.33 63.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.47 ' CD1' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -110.94 105.92 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -78.97 135.52 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.551 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -107.37 121.05 43.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.66 131.73 35.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 104.61 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 p -82.77 148.58 27.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -149.3 101.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.41 -94.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.98 36.94 2.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.89 95.66 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -105.77 131.25 53.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -140.02 145.39 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -95.6 115.92 28.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -100.26 141.05 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.83 139.62 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 128' ' ' VAL . 20.8 t80 -131.75 110.51 10.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.73 102.0 13.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 84' ' ' ILE . 43.1 t -83.55 92.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -35.44 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.419 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -163.06 114.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.94 160.5 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -90.54 -2.86 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 40.34 66.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 -70.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.483 ' OD1' ' CB ' ' A' ' 133' ' ' ARG . 1.5 m-80 -147.33 18.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.668 ' CD2' HG21 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.23 160.12 40.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.6 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -146.3 135.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.504 ' HB ' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.11 165.08 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.441 ' C ' ' CG2' ' A' ' 128' ' ' VAL . . . -174.96 173.04 46.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.532 ' CZ ' HG22 ' A' ' 154' ' ' VAL . 11.9 t80 -151.58 111.9 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.01 165.22 13.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -157.19 135.81 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 16.8 ptt180 -104.07 121.84 44.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.74 125.62 27.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' LYS . 7.7 t0 -107.72 122.87 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.12 -51.65 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.16 -47.78 68.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -83.59 -17.0 43.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER 79.04 -56.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.93 -135.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 1.8 p-80 -160.74 174.12 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -125.81 160.76 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.8 149.83 22.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -175.16 115.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.47 HG23 ' CE1' ' A' ' 99' ' ' PHE . 1.5 p -139.71 168.74 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -135.26 137.06 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 73.7 t -106.11 128.34 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -106.41 156.3 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.561 ' CB ' HG11 ' A' ' 29' ' ' VAL . 3.3 t -149.65 150.41 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.483 ' CB ' ' OD1' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -51.04 -57.04 9.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 m -99.8 173.91 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -26.47 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -122.78 144.77 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' ' 141' ' ' ALA . 1.2 mt -67.63 133.52 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 81.5 p -151.33 -172.29 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 45.26 -170.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -46.73 -24.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.5 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . . . -53.53 -32.0 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -71.12 -30.33 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.4 m -79.27 -37.95 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.585 ' HB1' ' CD1' ' A' ' 109' ' ' TYR . . . -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 109' ' ' TYR . 11.7 t -71.44 -48.71 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 150' ' ' ILE . 2.1 mm-40 -52.52 -57.03 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.69 -54.13 45.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.606 ' CE2' HG12 ' A' ' 155' ' ' VAL . 29.0 t80 -56.47 -49.98 73.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 157' ' ' SER . 22.7 mt -56.78 -56.53 20.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 149' ' ' LEU . 27.8 mt -37.76 -49.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.75 43.35 1.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.4 p -67.26 126.79 93.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.31 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.532 HG22 ' CZ ' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -156.11 -44.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.606 HG12 ' CE2' ' A' ' 148' ' ' TYR . 2.7 p -52.99 102.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 159' ' ' LYS . 0.4 OUTLIER -89.42 101.75 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 149' ' ' LEU . 6.5 p -46.89 -41.19 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -52.96 -22.22 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -91.22 -47.5 7.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 32' ' ' TYR . 6.2 mt -46.89 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 33' ' ' PRO . 5.6 t -149.93 130.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.531 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.9 m-85 -78.87 157.4 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 14.0 m -41.47 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.4 OUTLIER 156.53 110.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 1.8 p90 -122.49 -47.52 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.1 OUTLIER 79.45 147.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -34.51 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.81 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -68.35 -57.86 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.83 -48.77 72.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.64 120.22 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.33 149.44 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -78.41 103.16 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 43.25 90.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.21 -68.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -104.92 66.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -69.22 127.46 33.14 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.8 t -105.63 170.7 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -144.99 110.0 4.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.587 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.37 11.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -143.47 -163.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -138.54 139.7 38.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.17 129.33 33.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 16.4 mttt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 m -123.5 110.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -111.63 102.24 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -102.26 169.66 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.67 144.92 27.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.48 -135.5 14.97 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.523 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -127.72 -173.0 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -43.76 137.95 3.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.98 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -79.79 110.95 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.63 115.22 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -75.33 113.55 26.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 175.49 11.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.3 m -52.88 129.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -65.29 -34.11 77.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.19 93.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.66 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -65.53 159.61 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -157.71 121.31 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.528 ' CH2' ' HB3' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -85.78 5.9 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -47.45 -47.28 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.049 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.75 -56.58 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -56.67 84.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -171.04 -173.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.2 -145.99 20.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.85 120.77 41.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' ' CD1' ' A' ' 110' ' ' ILE . 12.4 m95 -123.36 171.75 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 19.5 m0 -143.14 129.59 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -47.94 146.18 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.539 ' CG1' ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -115.05 -80.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -132.4 113.82 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.35 150.45 47.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -42.82 134.03 2.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.95 122.19 7.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.1 178.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -42.85 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -104.09 20.48 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 42.24 78.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.63 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 pttt -128.59 120.76 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 9.8 m-85 -166.04 169.99 14.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.41 117.46 0.92 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 3.1 mptt -102.48 57.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.11 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.25 171.58 21.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -122.79 122.57 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -117.25 98.8 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.48 161.77 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 56' ' ' VAL . 8.1 m-85 -123.23 126.53 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -106.26 110.01 63.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.9 43.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -165.91 12.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -46.67 -30.56 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 158.98 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 m -136.76 117.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.11 139.4 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 47' ' ' TYR . 96.1 t -130.21 123.26 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -116.29 133.36 56.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.59 120.6 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -146.85 -174.44 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.839 HG22 ' HE2' ' A' ' 66' ' ' GLU . 43.6 t -114.82 99.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -64.06 149.91 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' ILE . 18.4 m170 -36.99 88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 65.47 54.12 28.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.9 159.7 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.839 ' HE2' HG22 ' A' ' 61' ' ' VAL . 51.6 mm-40 -122.79 112.62 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 13.5 p90 -130.01 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 3.5 t80 -164.15 108.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.9 mmt -105.05 133.37 49.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -141.34 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.57 136.96 2.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.6 t -75.06 152.82 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HB3' ' CH2' ' A' ' 19' ' ' TRP . . . -102.06 114.09 27.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 19.7 t80 -129.66 149.5 73.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 t -66.41 -53.63 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.65 -119.4 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.19 114.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -50.99 -44.82 60.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.64 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mm -44.99 154.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.75 -106.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.08 61.25 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.4 ' CG2' ' C ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -108.75 107.92 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -83.81 139.79 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.6 m-70 -104.05 121.61 43.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.69 108.85 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.37 116.94 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.62 145.16 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' GLY . 55.7 t -141.64 90.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.39 -86.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -129.75 33.31 3.0 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -144.52 94.54 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.6 m -90.31 135.15 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 135.11 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -95.28 107.21 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' HIS . 65.8 m -94.17 140.22 30.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.03 127.51 61.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 101' ' ' VAL . 2.7 t80 -126.23 109.69 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.43 103.73 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.533 HG22 ' CE2' ' A' ' 99' ' ' PHE . 70.3 t -75.18 96.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 mt -35.9 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.438 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -166.87 89.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.429 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.1 t -77.05 154.62 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 106' ' ' ASN . 23.1 p-10 -94.0 -1.89 53.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.438 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 38.95 64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -62.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.595 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -139.87 -43.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.618 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -108.25 154.24 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.719 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -122.93 133.21 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 148' ' ' TYR . 2.6 tp -111.03 131.93 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.54 164.53 31.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.413 ' CZ ' HG22 ' A' ' 154' ' ' VAL . 17.3 t80 -152.44 113.18 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.6 p -125.97 138.99 53.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.484 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -135.57 139.25 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 127.98 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.03 138.95 46.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.93 125.72 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.44 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -50.1 -56.67 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -67.66 -20.39 65.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 80.32 -54.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.45 -141.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 7' ' ' ALA . 2.2 p80 -154.58 176.51 12.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -132.8 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -112.92 113.15 25.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 2.6 p80 -130.59 104.74 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.52 -178.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.409 ' HZ2' ' CD2' ' A' ' 99' ' ' PHE . 4.1 p90 -147.29 124.88 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 85.3 t -105.7 124.16 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.596 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -112.44 149.86 31.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 2.0 t -149.86 151.03 32.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -52.19 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 m -104.51 -171.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.4 148.34 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.539 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 7.2 mt -75.08 142.43 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.7 p -154.73 -167.32 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 33.9 -151.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.143 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.08 -24.61 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -52.16 -45.79 65.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -63.64 -36.08 82.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.6 m -66.77 -49.37 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.618 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.35 -40.62 71.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -39.38 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.17 -56.84 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -54.03 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.582 ' CD2' HD13 ' A' ' 111' ' ' ILE . 18.4 t80 -56.6 -49.51 74.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.1 mt -56.59 -56.8 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 98.0 mt -40.61 -48.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.39 39.72 2.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 155' ' ' VAL . 2.2 p -68.74 115.65 32.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.96 7.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -146.1 -44.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.501 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 2.5 p -53.26 90.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.2 p30 -74.3 104.1 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 3.7 p -56.49 -43.17 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -52.81 -23.12 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -38.66 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.488 ' CD1' ' CG2' ' A' ' 155' ' ' VAL . 2.7 mt -47.21 170.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 13.6 p -146.02 135.04 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.4 m-85 -92.99 161.98 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 28.9 p -39.27 160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.4 m-20 159.2 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 27.4 p90 -117.53 -42.3 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 71.77 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.48 -34.82 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.23 -35.16 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -75.84 -54.47 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -54.0 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.45 163.85 26.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.39 147.25 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.62 107.99 7.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.82 125.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.82 173.61 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 43.71 87.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -81.63 158.31 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.8 71.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 126.24 21.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -148.35 -168.87 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.02 158.75 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -129.92 127.52 40.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.4 tttp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 126' ' ' ASP . 36.0 m -138.78 104.74 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.512 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.7 t80 -74.84 156.79 36.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' NE2' ' OD2' ' A' ' 126' ' ' ASP . 79.7 m-70 -143.41 178.8 7.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.4 13.88 11.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.97 -137.41 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.76 -166.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.17 133.48 95.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HD2' ' CE1' ' A' ' 113' ' ' TYR . 18.1 Cg_endo -75.03 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -84.15 126.96 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -153.66 111.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -75.99 113.16 24.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.07 171.96 17.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 82' ' ' GLY . 30.2 m -56.06 138.05 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -67.53 -42.53 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.8 p30 -152.25 89.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.828 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -66.98 124.06 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.84 124.38 50.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 13.7 m95 -76.31 -3.78 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -50.5 -55.61 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -113.01 61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.9 OUTLIER 174.83 82.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -177.65 -158.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.564 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 65.06 -149.62 51.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 122.43 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 8.8 m95 -136.15 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.01 134.89 46.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 163.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.512 ' CG2' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -123.72 -77.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.523 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -134.51 116.33 14.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.2 134.79 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.813 ' HH ' ' HD2' ' A' ' 156' ' ' ASP . 50.9 m-85 -30.38 127.89 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' CG1' ' A' ' 161' ' ' VAL . 18.3 Cg_endo -75.04 143.12 28.56 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -59.22 178.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.02 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.7 t-20 -93.63 23.74 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.07 77.91 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -129.52 135.89 49.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 44.2 m-85 -167.82 173.38 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.98 108.13 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -103.29 63.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.6 m -163.57 51.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.32 177.41 22.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 10.3 p90 -130.64 142.18 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -144.52 114.95 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -113.07 159.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.705 ' CD2' ' CG2' ' A' ' 56' ' ' VAL . 6.8 m-85 -109.27 134.78 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -108.7 109.13 61.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 116.06 4.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.32 43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.01 -164.37 15.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -29.41 18.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.77 158.6 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.1 m -133.0 121.78 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.89 148.64 38.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.705 ' CG2' ' CD2' ' A' ' 47' ' ' TYR . 17.6 t -140.02 136.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 p -131.34 117.82 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 1.1 ttt85 -109.65 143.37 39.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.96 120.78 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.09 -174.48 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.69 99.19 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 67' ' ' TYR . 44.1 mt -82.66 122.53 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 m170 40.0 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 59.73 1.04 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -162.59 121.47 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.4 113.72 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.508 ' CD2' HD12 ' A' ' 62' ' ' ILE . 1.3 t80 -123.01 159.86 27.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 10.1 t80 -165.58 139.87 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 121.44 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.66 166.84 10.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -177.95 158.23 23.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 t -123.2 145.35 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB3' ' CH2' ' A' ' 19' ' ' TRP . . . -100.26 112.35 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 37.3 t80 -126.58 148.73 65.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.562 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.01 129.79 12.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 t -73.46 -46.96 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.01 -124.18 2.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 114.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 m -45.55 -50.89 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' ILE . 42.7 mttp -55.41 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 15' ' ' ASP . 16.8 mm -39.41 157.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.34 -106.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.41 59.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -107.12 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -81.14 137.85 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -107.02 136.7 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.583 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 106.07 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.61 110.74 22.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 p -77.03 149.68 35.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' TYR . 3.1 t -139.51 90.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.24 50.47 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.17 -39.13 2.98 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -74.58 100.73 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -98.78 129.34 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -133.76 137.09 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -96.5 104.9 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.2 t -91.49 141.38 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.7 127.68 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 40.0 t80 -124.89 110.55 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -86.35 108.14 18.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.524 ' O ' ' C ' ' A' ' 102' ' ' LEU . 66.7 t -78.04 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -31.13 -86.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.5 73.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.566 HG21 ' CE1' ' A' ' 17' ' ' PHE . 9.6 t -53.8 144.67 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.462 ' C ' ' ND2' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -77.82 -35.7 51.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.525 ' OD1' ' CG2' ' A' ' 104' ' ' THR . 3.4 m-80 71.25 49.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -78.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.468 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 2.1 m-80 -123.52 -42.58 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.655 ' CE2' ' CG2' ' A' ' 145' ' ' VAL . 2.6 t80 -110.07 143.66 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.716 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -112.49 135.88 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.57 HD13 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -109.86 133.9 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . -159.1 167.7 34.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.545 ' CE2' HG21 ' A' ' 154' ' ' VAL . 48.8 t80 -149.89 132.86 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 148.74 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -147.2 131.69 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.348 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.506 ' HG2' ' HD2' ' A' ' 118' ' ' ASP . 15.8 ttt180 -101.63 141.58 34.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.33 130.16 34.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.506 ' HD2' ' HG2' ' A' ' 116' ' ' ARG . 1.1 m-20 -145.73 96.79 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.62 59.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -110.48 14.1 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 80.07 72.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.62 -137.49 3.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 3.8 p-80 -161.33 179.12 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.592 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.512 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 4.6 m95 -142.01 148.08 37.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . 60.1 m-20 -108.2 153.08 23.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 127' ' ' HIS . 1.0 OUTLIER -161.21 94.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 1.4 p -98.89 157.83 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.752 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 1.4 p90 -120.68 146.24 46.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 109' ' ' TYR . 99.1 t -124.92 125.2 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -117.4 141.86 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.454 ' CB ' HG13 ' A' ' 29' ' ' VAL . 88.2 p -143.01 148.99 37.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -42.44 63.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 m -102.01 175.26 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -17.09 64.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -134.41 157.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.516 ' CD2' ' HB2' ' A' ' 109' ' ' TYR . 2.0 mt -75.73 134.68 40.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.7 p -153.32 -168.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.39 -167.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.83 -24.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -51.94 -45.18 64.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -55.19 -34.89 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.4 m -65.16 -49.08 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.28 -35.42 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.655 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 0.7 OUTLIER -78.46 -39.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -57.33 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.63 -53.44 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.568 ' CZ ' HG12 ' A' ' 155' ' ' VAL . 13.2 t80 -55.35 -51.85 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.4 mt -55.7 -56.42 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LEU . 38.9 mt -39.91 -49.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.24 42.92 1.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.49 ' CB ' HG13 ' A' ' 155' ' ' VAL . 1.3 p -66.19 115.51 24.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.1 19.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.545 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -164.49 -40.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 5.7 p -51.12 106.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.813 ' HD2' ' HH ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -87.54 106.09 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 4.0 p -57.65 -48.33 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -53.35 -20.03 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.41 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.45 ' CD1' HG23 ' A' ' 155' ' ' VAL . 3.2 mt -56.26 172.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 7.5 p -146.79 157.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.49 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 13.9 m-85 -117.72 162.37 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 162' ' ' TYR . 43.4 p -41.82 164.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.3 OUTLIER 162.82 94.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 21.1 p90 -119.04 -47.78 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.6 OUTLIER 68.93 152.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.008 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -34.47 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.78 -28.39 48.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -81.28 -55.75 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -39.57 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -65.62 111.5 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.87 151.0 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -56.99 169.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.58 112.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 37.6 t 178.79 -67.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -104.55 66.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -42.46 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 107.982 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.23 177.52 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -134.1 96.46 15.91 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -166.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . 0.504 ' CG ' ' N ' ' A' ' 183' ' ' GLU . 89.9 t80 -147.05 172.23 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 182' ' ' PHE . 4.5 mp0 -135.02 124.11 24.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 23.6 m -116.25 124.96 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 9.5 t80 -116.42 141.83 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 5.8 m-70 -137.61 162.7 33.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.593 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.39 145.88 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.78 -135.9 12.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.54 175.75 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.78 139.3 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' HG ' ' A' ' 115' ' ' CYS . 18.2 Cg_endo -75.03 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.68 122.23 22.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.415 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -154.38 113.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -75.01 113.06 21.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 167.17 27.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG22 ' CG ' ' A' ' 17' ' ' PHE . 14.3 m -55.53 122.9 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.489 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -66.24 -29.11 69.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -155.99 89.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CG ' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.23 157.16 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -158.18 120.96 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 73' ' ' ALA . 1.6 m95 -87.07 6.34 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 3.3 m -46.88 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -88.16 -61.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CD1' HD12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -56.04 96.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.97 -156.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.601 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.61 -138.96 40.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -99.53 132.92 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 0.727 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ3' HD11 ' A' ' 110' ' ' ILE . 13.8 m95 -137.03 151.76 49.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.017 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -125.2 128.74 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.97 158.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 132' ' ' SER . 0.0 OUTLIER -118.3 -83.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 162' ' ' TYR . . . -134.21 116.45 15.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 15.2 pttt -143.4 143.56 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.073 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.606 ' HE2' ' HD2' ' A' ' 156' ' ' ASP . 92.3 m-85 -35.73 139.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -74.99 -170.69 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -126.99 176.85 2.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.96 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.78 27.57 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.62 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 113.05 25.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -157.02 170.88 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.76 121.42 0.87 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -124.84 57.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 0.724 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -159.45 62.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 60' ' ' ASP . . . -150.76 178.1 28.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.3 p90 -123.46 119.26 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB1' ' CG ' ' A' ' 58' ' ' ARG . . . -132.63 121.04 22.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -123.19 157.78 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE2' HG21 ' A' ' 56' ' ' VAL . 5.3 m-85 -112.27 130.6 55.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.9 m -121.92 109.18 34.05 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 135.9 19.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.96 120.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 53' ' ' SER . . . 68.95 45.9 61.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 3.4 mttp 74.88 -41.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -81.88 162.94 22.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 19' ' ' TRP . 4.2 m -131.81 113.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 149.29 48.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' CE2' ' A' ' 47' ' ' TYR . 94.9 t -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.4 m -121.67 117.54 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 2.9 ttt85 -112.55 139.71 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -152.95 118.84 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.983 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 2.0 p30 -155.78 -175.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.1 m -114.82 98.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.514 HD13 ' CG ' ' A' ' 67' ' ' TYR . 15.4 mt -80.66 124.15 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 6.4 m170 38.75 73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 67.04 0.56 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.66 123.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.76 114.9 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CG ' HD13 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -120.77 161.98 20.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 90.9 t80 -165.37 124.2 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 ttp -139.68 107.93 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.13 170.06 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 171.11 160.57 19.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.7 t -115.86 146.55 41.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.583 ' HB2' ' CH2' ' A' ' 19' ' ' TRP . . . -97.29 112.61 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 37.4 t80 -127.1 148.29 65.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.57 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 130.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.65 -51.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.11 -122.35 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.71 116.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.7 m -55.28 -52.99 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -48.79 -61.16 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 24.3 mm -57.89 165.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 81' ' ' ILE . . . -65.12 -105.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.83 61.22 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.47 108.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.579 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -83.14 134.14 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -105.92 125.98 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 129.53 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.73 104.38 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' HG22 ' A' ' 94' ' ' THR . 1.6 p -89.92 145.59 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' GLY . 4.9 t -141.14 100.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.45 -91.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -121.42 34.79 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -144.19 101.21 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.417 HG22 ' CG2' ' A' ' 89' ' ' THR . 38.3 m -107.94 129.56 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -135.88 142.6 44.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' ' CZ ' ' A' ' 85' ' ' TYR . 19.4 mtpt -95.84 113.16 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.442 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 23.3 m -93.34 140.94 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 85' ' ' TYR . 62.5 t -105.02 109.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.641 ' CE2' ' CG2' ' A' ' 101' ' ' VAL . 9.5 t80 -113.2 110.05 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -96.75 107.95 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.641 ' CG2' ' CE2' ' A' ' 99' ' ' PHE . 63.3 t -74.0 104.32 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.8 mt -37.37 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.03 87.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.404 ' CG2' ' OD1' ' A' ' 106' ' ' ASN . 14.2 t -73.49 141.05 46.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.08 -14.55 46.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.7 OUTLIER 49.98 70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.43 -74.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.468 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -128.17 -40.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -110.19 160.23 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.613 HD11 ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -128.59 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.582 HG12 ' CD1' ' A' ' 148' ' ' TYR . 2.0 tp -121.03 114.09 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.46 139.88 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.931 ' HH ' ' HD2' ' A' ' 126' ' ' ASP . 16.7 t80 -124.18 134.47 53.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -142.95 158.97 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.052 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.554 ' HG ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -155.38 124.48 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 108.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -97.13 136.8 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 5.0 t80 -84.76 140.34 31.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.78 111.0 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -74.86 -56.17 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -52.96 58.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -17.94 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.68 91.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 133.68 -141.13 12.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -155.81 172.47 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 65.0 m95 -129.68 160.18 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.931 ' HD2' ' HH ' ' A' ' 113' ' ' TYR . 15.9 t0 -105.9 105.84 16.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -110.82 94.95 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 48.7 t -113.79 149.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -138.96 117.75 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.402 ' CG1' HG22 ' A' ' 29' ' ' VAL . 97.5 t -97.53 130.85 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -105.26 160.74 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.468 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 4.2 t -149.8 144.76 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -48.25 -27.01 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -172.14 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 49.6 mtt -68.34 -18.05 64.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.99 136.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.478 ' C ' ' CG2' ' A' ' 138' ' ' THR . 7.3 tp -72.97 138.32 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 1.2 p -152.84 -169.91 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.24 -157.08 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -56.27 -22.05 27.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.773 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -53.24 -45.15 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -59.85 -27.56 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 6.9 m -74.75 -49.86 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -37.04 65.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -72.06 -57.45 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.59 -51.52 47.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.582 ' CD1' HG12 ' A' ' 111' ' ' ILE . 22.7 t80 -54.59 -49.67 69.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 145' ' ' VAL . 11.5 mt -55.79 -37.9 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 146' ' ' GLU . 81.8 mt -63.28 -49.64 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.54 27.23 21.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 148' ' ' TYR . 81.2 p -78.11 139.99 61.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.41 21.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' A' ' 155' ' ' VAL . 0.0 OUTLIER -165.01 -100.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.535 ' C ' ' O ' ' A' ' 154' ' ' VAL . 8.4 p 29.58 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.606 ' HD2' ' HE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -75.1 101.19 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 12.1 p -58.69 -46.04 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -52.27 -41.11 62.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -76.37 -39.06 54.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 2.1 mt -46.0 166.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 58.4 t -149.65 120.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.5 m-85 -70.67 161.12 31.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' VAL . 82.7 p -39.09 158.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 174.68 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 45.8 p90 -102.64 -46.25 4.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 67.58 150.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -34.51 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.08 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -68.09 -56.73 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -53.36 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -47.82 122.84 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 43.9 t -96.42 151.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 5.1 t30 -55.79 119.68 6.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 175' ' ' SER . 1.4 t-20 39.66 52.42 2.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 174' ' ' ASN . 0.3 OUTLIER 35.94 77.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -104.7 44.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -71.29 172.61 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 24.7 t -126.02 50.52 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.952 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.34 154.29 73.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 182' ' ' PHE . 7.0 pt20 -140.08 -158.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . 0.423 ' O ' ' NE2' ' A' ' 181' ' ' GLN . 4.2 t80 -148.83 172.78 14.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -135.2 129.11 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.8 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.539 HG22 ' CD2' ' A' ' 32' ' ' TYR . 3.8 m -152.24 120.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 7.8 t80 -110.89 158.47 18.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 42.2 m-70 -148.16 -178.35 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.55 17.12 7.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.82 -136.96 3.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.8 -171.64 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -52.07 132.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.01 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -82.25 118.66 23.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -146.93 114.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -75.83 113.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 172.74 15.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 82' ' ' GLY . 9.4 m -55.32 135.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.65 -40.61 84.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -154.21 90.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 134.43 52.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.09 124.61 45.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG23 ' A' ' 54' ' ' VAL . 4.0 m95 -86.01 8.9 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 22' ' ' TYR . 5.2 pp0? -100.83 -48.06 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -57.46 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -175.21 -156.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 -144.3 45.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -91.96 135.64 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 10.3 m95 -137.54 170.94 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -141.72 120.69 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.6 156.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.531 ' CG1' ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -117.59 -70.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.557 ' HB3' ' CG ' ' A' ' 162' ' ' TYR . . . -153.11 129.55 10.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -153.35 170.62 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.539 ' CD2' HG22 ' A' ' 2' ' ' VAL . 2.6 m-30 -56.45 127.14 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -175.44 2.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.444 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -127.92 174.53 4.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.2 m-20 -91.93 19.87 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 34' ' ' SER . . . 36.23 91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -116.65 116.41 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 12.4 m-85 -169.14 170.17 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.0 109.26 0.4 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -109.37 83.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.6 p 159.03 48.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.88 177.46 18.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -118.39 124.16 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -142.11 138.78 31.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -138.61 160.65 39.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' CE2' HG23 ' A' ' 56' ' ' VAL . 10.3 m-85 -115.7 121.16 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 94.5 m -111.35 130.79 22.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.17 17.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.09 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 69.11 85.01 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 83.76 -48.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.95 159.05 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG23 ' CE3' ' A' ' 19' ' ' TRP . 32.9 m -133.83 116.38 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -71.32 147.63 47.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' CE2' ' A' ' 47' ' ' TYR . 66.9 t -137.73 129.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.4 p -125.96 118.38 25.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 137.41 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.09 120.45 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 111.001 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -175.03 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 m -107.44 103.14 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 67' ' ' TYR . 65.0 mt -86.94 129.81 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.8 m170 39.38 70.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.94 58.87 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -165.03 127.31 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.5 112.82 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -121.36 159.5 25.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 7.8 t80 -165.23 136.03 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.69 150.7 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 15.8 mt-10 -140.67 163.7 32.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 168.56 128.86 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 t -81.3 163.02 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . . . -115.0 112.35 22.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 43.9 t80 -126.61 149.29 67.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -62.86 -51.07 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.11 -127.86 4.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.59 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.7 p -40.56 -48.94 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' ILE . 18.1 mttt -55.29 -72.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 80' ' ' LYS . 41.9 mm -40.32 161.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -62.48 -104.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 42.01 54.96 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -100.71 107.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -86.28 140.54 30.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.591 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 1.3 t60 -104.89 115.7 30.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.4 104.75 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -100.16 120.41 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -92.21 149.22 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.1 92.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 39.73 58.03 2.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.73 -34.55 4.32 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.67 94.5 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -95.88 134.49 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 138.3 54.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -95.6 100.47 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' HIS . 26.1 m -94.96 130.85 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.73 121.6 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.715 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 89.8 t80 -123.89 109.49 13.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.41 124.92 33.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.553 HG23 ' CE2' ' A' ' 99' ' ' PHE . 55.4 t -92.3 96.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.5 mt -32.59 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.06 112.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.42 ' OG1' HG13 ' A' ' 110' ' ' ILE . 2.8 t -104.73 150.19 24.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -80.19 -3.0 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' ASP . 6.8 p30 38.94 49.73 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -66.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.505 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -132.56 -45.27 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -99.88 160.95 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.591 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -143.97 137.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.458 HD12 ' CD2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -120.53 169.69 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.41 40.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 154' ' ' VAL . 9.6 t80 -155.59 118.26 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 p -142.99 152.01 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 1.7 p -155.99 146.79 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -116.75 140.99 48.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -70.08 105.72 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.58 100.57 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 55.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 16.94 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 80.49 87.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.11 -131.98 3.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 2.6 p-80 -163.2 179.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 3.5 m95 -141.38 137.57 32.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.027 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.53 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 34.2 t70 -98.48 149.35 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 96.4 m-70 -159.45 102.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -104.16 -176.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.715 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.8 p90 -151.94 141.29 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.515 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 60.8 t -117.71 133.25 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -118.78 146.55 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 29.7 t -149.95 157.82 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.53 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.64 174.0 11.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 ptp -64.11 -19.85 65.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.531 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 1.6 mt -72.19 144.26 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.519 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.5 p -154.53 -172.18 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 34.65 -151.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.69 -25.62 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 138' ' ' THR . . . -53.29 -41.52 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.1 m -62.38 -48.33 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.56 ' HB3' ' CD1' ' A' ' 109' ' ' TYR . . . -54.93 -45.27 74.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.422 ' CG2' HD11 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -72.0 -42.15 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.6 -57.58 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.51 -53.68 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.523 ' CZ ' ' CG1' ' A' ' 155' ' ' VAL . 10.9 t80 -56.22 -50.67 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 44.0 mt -55.6 -57.43 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 88.2 mt -39.69 -49.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.83 41.03 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -68.8 113.18 14.33 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -17.9 19.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.547 HG21 ' CE2' ' A' ' 113' ' ' TYR . 5.2 m -161.45 -41.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.523 ' CG1' ' CZ ' ' A' ' 148' ' ' TYR . 2.3 p -53.06 94.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -77.87 112.34 14.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 6.8 p -67.48 -45.09 76.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -52.5 -34.12 48.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -83.48 -39.98 19.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 2.2 mt -46.61 171.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 33' ' ' PRO . 7.9 t -145.36 145.48 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.557 ' CG ' ' HB3' ' A' ' 30' ' ' ALA . 2.1 m-85 -100.91 162.55 12.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 162' ' ' TYR . 13.9 m -36.28 153.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 162.77 87.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.5 p90 -114.5 -49.26 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 79.85 141.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -34.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.37 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -60.96 -58.01 10.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 m -61.66 -51.29 69.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.89 113.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 85.7 t -99.53 149.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.53 119.02 11.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 m120 58.95 169.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t 71.77 -71.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 66.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -178.12 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.042 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.0 t 65.86 141.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.36 150.95 56.75 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.573 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.53 11.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -141.48 -158.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . 0.406 ' CG ' ' N ' ' A' ' 183' ' ' GLU . 50.8 t80 -150.16 171.02 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 182' ' ' PHE . 0.6 OUTLIER -134.15 124.72 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.6 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.21 105.19 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -110.38 148.44 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 6.2 m-70 -148.25 163.67 36.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.633 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.6 17.69 19.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.52 -134.26 4.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.619 ' C ' ' CE1' ' A' ' 124' ' ' HIS . . . -136.5 152.78 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.63 ' N ' ' CE1' ' A' ' 124' ' ' HIS . 0.0 OUTLIER -34.52 137.94 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.5 OUTLIER -86.16 147.43 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 113' ' ' TYR . 3.7 m -162.56 110.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -68.15 111.06 6.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.05 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG21 ' CA ' ' A' ' 82' ' ' GLY . 4.8 m -56.56 135.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -66.04 -41.41 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 32.3 p-10 -156.25 94.79 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.744 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.98 129.59 40.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.12 116.07 24.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 11.7 m95 -71.35 -11.81 61.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.9 m -48.75 -46.73 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 106' ' ' ASN . 2.0 pm0 -120.41 61.68 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.744 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 175.38 84.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -175.38 -168.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 73.05 -140.02 27.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -86.24 121.31 28.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 14.6 m95 -136.48 122.71 20.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 10.0 m0 -104.17 135.45 45.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 154.45 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.487 HG23 ' CG1' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -111.78 -82.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -136.39 118.51 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 0.6 OUTLIER -135.56 170.01 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 13.2 m-85 -60.19 138.45 91.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -73.53 177.96 1.78 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.0 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -94.92 20.93 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.78 75.7 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.3 124.19 49.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -154.37 177.01 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.45 120.74 0.53 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 163' ' ' SER . 0.1 OUTLIER -95.29 -138.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.0 m 45.39 52.07 9.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -117.49 177.63 16.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -153.89 118.43 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.06 165.74 21.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 2.1 pt-20 -155.75 159.79 39.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CE2' HG21 ' A' ' 56' ' ' VAL . 4.6 m-85 -121.75 134.59 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -110.43 109.59 58.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.37 5.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.52 54.31 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.57 -171.44 13.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -46.78 -31.27 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.38 155.41 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.77 117.41 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.43 148.93 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 47' ' ' TYR . 59.4 t -136.03 134.15 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.54 118.32 19.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 135.32 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.21 120.32 5.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 p30 -159.79 -174.51 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -109.5 138.1 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.1 mt -126.97 117.28 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLY . 6.7 m170 40.28 78.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 54.42 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.4 113.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.14 120.09 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -116.44 159.71 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 27.9 t80 -165.72 138.46 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.83 141.17 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 174.84 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.23 179.58 39.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.87 138.39 44.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.68 122.25 37.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 27.2 t80 -133.96 148.22 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 77' ' ' GLY . 1.1 t -61.02 -50.24 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 76' ' ' VAL . . . -124.43 -124.96 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 111.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -45.15 -47.59 12.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ILE . 4.1 mptt -56.34 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.63 156.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' CA ' HG21 ' A' ' 14' ' ' VAL . . . -54.51 -108.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.17 56.01 7.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 HG23 ' C ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -110.73 107.62 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.608 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -90.56 141.05 29.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.477 ' C ' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -107.51 134.06 51.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -86.75 104.72 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.963 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 114.74 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.443 HG23 ' CG2' ' A' ' 94' ' ' THR . 1.0 OUTLIER -93.49 144.68 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.08 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' GLY . 35.0 t -141.11 94.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.68 -80.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -138.26 33.4 2.24 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -141.47 96.38 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.443 ' CG2' HG23 ' A' ' 89' ' ' THR . 53.9 m -93.96 128.39 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -131.91 135.35 46.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.9 mptt -95.02 106.96 18.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 15.2 t -92.92 137.75 32.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.3 t -87.03 125.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 22.5 t80 -124.61 108.99 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.97 102.9 15.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 102' ' ' LEU . 24.2 t -72.85 101.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' VAL . 3.7 mt -38.07 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.41 111.72 3.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.474 ' OG1' ' CG1' ' A' ' 110' ' ' ILE . 11.8 t -106.7 136.07 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 4.2 t0 -74.17 -4.23 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' HB2' ' CG ' ' A' ' 21' ' ' GLN . 3.1 p30 41.61 73.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -78.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -124.36 -38.43 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -105.26 154.2 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.621 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -142.47 141.01 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -122.9 136.39 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -131.53 171.31 21.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.576 ' CD1' HG22 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -161.54 133.45 5.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.43 -176.52 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.2 p -156.87 162.89 39.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -139.73 109.41 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.99 131.35 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.15 98.91 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.98 -13.54 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.72 -52.02 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -99.48 -7.02 26.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 88.5 -50.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -60.01 -139.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.63 ' CE1' ' N ' ' A' ' 8' ' ' CYS . 9.4 p-80 -164.13 178.25 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.9 m95 -131.94 159.79 37.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -119.18 140.98 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.19 134.25 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -135.29 179.38 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.753 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 p90 -142.84 128.29 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 84.8 t -101.85 135.73 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -111.06 156.54 21.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 6.4 p -146.4 145.59 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -50.07 -54.32 21.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.5 m -105.52 -165.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' MET . . . . . 0.505 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.72 -21.27 60.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.45 150.06 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 29' ' ' VAL . 2.7 tp -75.81 131.16 39.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.451 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.7 p -150.55 -169.66 3.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 141' ' ' ALA . . . 42.92 -166.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -47.09 -23.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -54.78 -35.53 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -68.89 -25.57 64.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.2 m -75.98 -52.59 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . . . -53.17 -40.31 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.461 HG22 ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.34 -37.3 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -56.34 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.85 -49.71 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.579 ' CE1' HG12 ' A' ' 111' ' ' ILE . 20.5 t80 -56.18 -52.91 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 152' ' ' SER . 28.5 mt -55.14 -56.99 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -40.69 -47.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.38 39.53 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 149' ' ' LEU . 6.0 p -71.72 123.09 88.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.438 ' HD2' ' CG1' ' A' ' 155' ' ' VAL . 18.3 Cg_endo -75.07 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -114.12 -34.43 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.533 ' CG1' ' OH ' ' A' ' 148' ' ' TYR . 1.8 p -54.92 92.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.526 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.8 115.89 14.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 7.4 p -74.37 -48.43 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -52.9 -19.82 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -99.07 -38.65 8.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 31' ' ' LYS . 3.5 mt -45.55 170.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 65.3 t -144.37 119.77 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -76.5 162.47 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 86.1 p -40.56 162.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 m-20 156.83 100.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 166' ' ' SER . 24.1 p90 -108.98 -52.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.488 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 74.02 149.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -45.2 -35.52 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.54 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -82.62 -56.89 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -57.56 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.5 OUTLIER -66.93 119.05 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 12.9 t -98.7 146.31 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -73.34 107.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.89 167.21 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.52 168.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 40.73 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -82.14 174.93 10.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.95 79.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -144.5 125.67 7.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.599 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.72 34.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -149.16 -164.77 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.45 167.67 21.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.37 129.34 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.2 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m -84.67 120.95 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CE3' ' A' ' 125' ' ' TRP . 4.3 t80 -105.34 139.71 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -138.3 158.93 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -104.3 143.55 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 91.59 -140.08 15.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.29 -168.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 155.69 61.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 10.1 mt-10 -82.17 124.68 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 1.6 m -161.52 112.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -76.19 113.0 24.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.06 166.16 29.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG21 ' CD2' ' A' ' 17' ' ' PHE . 11.6 m -48.62 126.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.76 -37.11 86.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -156.85 87.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.74 154.08 41.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -121.68 120.6 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.549 ' CH2' ' HB1' ' A' ' 73' ' ' ALA . 33.4 m95 -69.42 -27.98 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.562 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -57.43 -67.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.688 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -56.04 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -44.96 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -170.49 -174.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.41 -133.61 12.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 5.8 mtmt -94.91 141.83 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 39.3 m95 -151.68 116.28 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 135' ' ' MET . 0.1 OUTLIER -97.8 141.27 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.29 156.19 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 132' ' ' SER . 0.0 OUTLIER -121.51 -85.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -120.75 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -142.24 149.96 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.403 ' OH ' ' OD2' ' A' ' 156' ' ' ASP . 78.2 m-85 -49.25 132.78 16.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.47 169.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.69 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.75 1.93 24.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 78.4 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 17.6 mttm -130.03 136.33 49.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 18.7 m-85 -166.13 173.44 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.66 119.72 0.71 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 19.6 ttpt -107.67 69.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 41' ' ' LYS . 52.8 m -160.36 49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.06 177.22 30.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -132.32 158.36 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.96 100.83 3.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.25 156.4 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 56' ' ' VAL . 6.6 m-85 -118.78 129.97 55.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.7 m -119.22 109.31 39.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.76 12.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.5 124.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 78.48 34.19 36.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER 82.06 -44.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.06 168.77 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG23 ' CZ3' ' A' ' 19' ' ' TRP . 14.9 m -125.7 112.0 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 149.25 49.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 47' ' ' TYR . 41.6 t -138.57 128.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -120.89 117.74 28.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -109.72 138.31 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -153.44 119.65 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HD2' HD13 ' A' ' 62' ' ' ILE . 42.9 p-10 -155.09 -174.81 5.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.72 98.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.482 HD13 ' CB ' ' A' ' 67' ' ' TYR . 4.1 mt -81.96 124.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER 39.14 75.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.81 51.78 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.23 118.69 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.0 118.31 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CB ' HD13 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -121.72 163.2 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -165.03 141.96 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 122.04 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.17 168.58 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 178.1 159.98 23.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 137.43 54.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.372 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HB1' ' CH2' ' A' ' 19' ' ' TRP . . . -90.88 125.18 35.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.621 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 58.8 t80 -142.25 148.68 48.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.621 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 133.78 17.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -49.31 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.43 -131.42 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.1 m-20 -44.6 107.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 1.8 m -38.96 -60.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -66.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 3.5 mm -49.31 159.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.07 -110.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.34 57.43 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.19 112.56 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -92.29 141.12 28.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -112.7 127.28 56.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 118.14 21.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.96 107.6 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.465 ' CG2' HG21 ' A' ' 94' ' ' THR . 1.4 p -86.11 149.13 25.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' GLY . 84.5 t -149.76 94.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.7 -89.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -125.88 35.65 2.95 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -145.42 93.07 2.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 0.788 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' CG2' ' A' ' 89' ' ' THR . 74.4 m -110.9 126.44 54.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 146.45 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.92 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.432 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 89.1 m -97.97 129.21 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.459 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.523 ' HA ' ' CB ' ' A' ' 85' ' ' TYR . 5.9 p -91.23 125.47 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 84.1 t80 -119.64 111.48 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -85.03 115.34 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.53 HG23 ' CE2' ' A' ' 99' ' ' PHE . 53.9 t -89.04 105.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 10.1 mt -39.5 -90.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.35 66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.484 HG21 ' CG1' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -50.3 160.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.1 -18.94 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.688 ' ND2' HE22 ' A' ' 21' ' ' GLN . 0.5 OUTLIER 53.49 42.54 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -45.41 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.1 OUTLIER -154.04 -45.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' O ' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -106.69 153.32 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.571 HD11 ' CD1' ' A' ' 22' ' ' TYR . 1.1 mt -122.74 122.42 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.596 HD11 ' CD2' ' A' ' 148' ' ' TYR . 2.7 tp -103.84 116.57 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -135.37 -179.79 16.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.524 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 11.4 t80 -167.39 122.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 15.7 p -144.86 149.53 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 12.2 p -154.42 131.65 11.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.799 ' HG3' ' HD2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -101.2 137.4 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.434 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 37.7 t80 -71.82 131.94 43.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.799 ' HD2' ' HG3' ' A' ' 116' ' ' ARG . 4.9 m-20 -143.96 99.55 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.13 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -61.97 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -113.47 -48.12 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 169.43 82.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.67 -138.74 7.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.2 p80 -156.29 177.45 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.415 ' CE3' ' CD1' ' A' ' 3' ' ' TYR . 9.6 m95 -121.34 163.01 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.023 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.65 141.32 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -152.64 102.97 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.61 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.62 164.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.77 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 7.2 p90 -133.63 119.28 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.474 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 95.9 t -93.96 132.57 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -110.79 158.37 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' TRP . 15.6 p -149.98 129.86 13.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -35.84 -55.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -101.6 -178.43 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' MET . . . . . 0.512 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 7.3 ptt? -62.07 -23.37 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.86 150.9 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.471 ' C ' ' CG2' ' A' ' 138' ' ' THR . 5.8 tp -74.71 136.37 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 2.9 p -151.81 -166.37 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.66 -156.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.17 -20.52 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 108' ' ' ASN . . . -53.88 -47.29 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -57.81 -34.47 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 40.0 m -70.18 -46.54 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.454 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.7 -38.24 69.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.405 ' CG1' HD22 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -78.88 -34.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 1.2 mm-40 -71.15 -57.93 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -49.6 -54.13 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.596 ' CD2' HD11 ' A' ' 111' ' ' ILE . 21.1 t80 -55.87 -49.65 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.0 mt -56.73 -44.62 81.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.55 -49.33 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.36 35.9 4.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.51 ' HB2' ' CG1' ' A' ' 155' ' ' VAL . 23.6 p -78.09 139.99 61.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -14.25 21.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.578 ' O ' ' C ' ' A' ' 155' ' ' VAL . 0.0 OUTLIER -165.28 -105.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.578 ' C ' ' O ' ' A' ' 154' ' ' VAL . 2.8 p 24.06 88.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.403 ' OD2' ' OH ' ' A' ' 32' ' ' TYR . 1.1 p30 -76.58 105.41 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 14.2 p -61.63 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -52.42 -21.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -44.19 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 6.0 mt -50.99 176.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 90.6 t -149.78 118.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -68.03 161.13 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 59.0 m -39.25 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.93 98.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 24.9 p90 -121.31 -47.77 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 73.06 148.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -33.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.56 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.15 -56.79 15.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -49.62 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.67 123.21 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 18.6 t -108.94 140.92 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -78.47 108.67 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.5 176.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.45 -78.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -104.02 62.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 178.19 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.52 87.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -143.31 129.71 10.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.442 1.759 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -156.54 -160.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.3 164.42 28.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -134.96 126.36 28.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 27.1 tptt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 m -137.49 132.01 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.597 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 55.7 t80 -97.31 147.14 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 1.1 m-70 -150.12 169.42 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.35 146.37 28.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.2 -132.16 11.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.92 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 0.5 OUTLIER -43.99 140.08 2.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' CD ' ' HG ' ' A' ' 115' ' ' CYS . 18.4 Cg_endo -74.98 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.26 117.46 17.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.492 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.3 m -150.88 111.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -75.47 112.52 19.46 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.94 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 17' ' ' PHE . 16.6 m -55.56 134.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.41 -43.66 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 80' ' ' LYS . 30.9 p-10 -150.89 92.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CZ ' HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -67.61 135.97 53.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.9 117.9 31.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG22 ' A' ' 54' ' ' VAL . 71.2 m95 -73.26 -22.33 60.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 107.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.534 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -47.45 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 3.0 pm0 -71.25 -95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' HD12 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -36.1 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -173.92 -172.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.64 -147.98 33.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 126.17 37.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.466 ' NE1' ' O ' ' A' ' 23' ' ' HIS . 15.6 m95 -127.41 143.72 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.535 ' CZ3' ' HA ' ' A' ' 42' ' ' CYS . 11.2 m0 -117.82 134.62 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.74 152.01 43.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -123.63 -89.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -103.11 82.05 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 166.93 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 5.1 m-85 -76.2 152.8 84.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 2.99 5.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER 80.62 171.76 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLY . 35.2 t30 -90.4 24.27 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.49 46.55 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 30.1 ttpt -129.74 123.61 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 37.9 p90 178.88 179.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.62 171.22 38.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -118.7 -148.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER 39.86 57.48 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.28 175.5 15.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.9 p90 -138.75 120.24 14.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . -142.06 127.38 18.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -116.76 161.16 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.12 126.76 49.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m -118.43 110.15 39.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 134.57 17.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.27 113.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 88.47 27.44 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 88.8 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.48 179.68 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG22 ' CE3' ' A' ' 19' ' ' TRP . 6.1 m -139.2 119.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.39 148.88 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.59 129.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 4.5 p -131.58 120.37 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -120.72 135.8 55.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -153.56 120.49 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -159.23 -174.8 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 170' ' ' CYS . 3.5 m -115.71 122.36 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -80.58 151.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.585 ' CE1' ' HB1' ' A' ' 169' ' ' ALA . 46.2 m-70 -35.89 87.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 71.24 53.88 9.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -173.96 169.5 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.13 112.87 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.68 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 17.0 p90 -129.1 152.09 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -160.61 108.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.77 140.32 49.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -127.83 164.92 21.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 87' ' ' SER . . . 179.61 -140.44 4.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 t -158.88 156.11 28.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' NE2' ' A' ' 86' ' ' HIS . . . -107.2 118.22 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.8 t80 -130.29 148.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.04 122.08 6.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -66.75 -50.56 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.2 -131.4 4.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.85 124.16 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 p -51.52 -47.72 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -55.23 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' LYS . 22.3 mm -40.39 161.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.96 -104.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.99 61.52 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.79 107.18 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.77 135.21 35.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -106.39 124.54 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.58 143.64 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.33 104.3 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 p -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.3 p -148.2 133.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.53 -101.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.27 35.95 3.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 140.04 32.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.7 m -127.1 126.0 42.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -126.52 138.25 53.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.62 120.5 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 86' ' ' HIS . 2.0 m -102.93 138.23 40.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.8 t -99.18 128.45 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.795 ' CE2' ' CZ2' ' A' ' 129' ' ' TRP . 37.7 t80 -129.6 109.73 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -91.29 102.57 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.553 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 10.0 t -73.08 102.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.492 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.4 mt -37.25 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.58 101.78 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.6 t -94.78 152.93 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.44 -12.17 46.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.3 OUTLIER 49.24 47.45 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.03 -67.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.1 OUTLIER -130.24 -43.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -108.59 159.6 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -135.68 136.99 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.571 HD12 ' CD2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -117.5 127.11 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . -149.45 116.11 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 20.8 t80 -100.33 124.15 45.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.585 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -127.59 160.82 30.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.48 ' HG ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -156.54 130.76 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -102.3 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 3.8 t80 -93.73 127.59 39.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -104.36 125.02 50.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -55.37 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.32 -59.18 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 117' ' ' TYR . 0.0 OUTLIER 77.51 -56.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.36 -154.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.107 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -143.25 178.14 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 17.4 m95 -143.63 130.88 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -95.55 152.65 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 47.7 m80 -164.61 96.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 7.2 p -97.36 146.01 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.795 ' CZ2' ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -122.29 147.47 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.462 ' CG1' HG23 ' A' ' 29' ' ' VAL . 55.7 t -120.44 124.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 129' ' ' TRP . 9.5 mt -103.92 157.15 17.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.505 ' CB ' HG11 ' A' ' 29' ' ' VAL . 36.9 p -149.99 129.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -38.3 -51.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -106.54 176.47 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -24.84 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.427 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 1.4 t -152.17 128.23 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -75.15 144.52 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.461 ' HA ' ' CD ' ' A' ' 142' ' ' LYS . 9.6 p -144.41 171.68 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.06 -140.21 39.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -54.58 -30.24 53.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.01 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.461 ' CD ' ' HA ' ' A' ' 138' ' ' THR . 1.2 mtpm? -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 9.0 m -68.19 -32.71 73.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.434 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -55.0 -45.78 75.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.02 -44.03 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 2.5 mm-40 -58.16 -57.58 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -49.68 -51.11 40.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.571 ' CD2' HD12 ' A' ' 111' ' ' ILE . 5.0 t80 -54.25 -55.4 28.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.457 ' O ' ' OG ' ' A' ' 152' ' ' SER . 26.1 mt -57.38 -42.72 82.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mt -51.98 -43.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.42 32.05 5.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 148' ' ' TYR . 10.3 p -78.59 146.26 69.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.457 ' O ' ' CG1' ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.0 -17.85 19.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.562 ' O ' ' C ' ' A' ' 155' ' ' VAL . 0.3 OUTLIER -165.95 -101.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.562 ' C ' ' O ' ' A' ' 154' ' ' VAL . 6.8 p 26.8 87.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 1.8 p30 -80.66 99.65 8.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 1.4 p -48.3 -37.73 17.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -54.61 -18.76 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -96.62 -45.85 6.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 157' ' ' SER . 5.2 mt -48.5 177.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 73.1 t -150.32 119.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 163' ' ' SER . 1.3 m-85 -75.11 156.5 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 162' ' ' TYR . 74.5 m -36.87 117.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -170.09 49.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 166' ' ' SER . 42.3 p90 -63.64 -50.27 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.584 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.14 149.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.96 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.1 OUTLIER -45.81 -36.44 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.93 65.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.585 ' HB1' ' CE1' ' A' ' 63' ' ' HIS . . . -84.71 -56.79 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . 0.475 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -64.47 -78.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.9 tttt -48.65 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 173' ' ' ASN . 14.6 p -89.21 149.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.439 ' N ' HG22 ' A' ' 172' ' ' VAL . 5.0 p30 -83.95 103.41 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.2 172.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 p -80.48 68.14 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -99.76 64.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 164.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.8 m 63.99 92.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.37 125.87 7.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -145.21 -166.57 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.97 151.87 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.28 129.19 33.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 3.2 mptt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' CE3' ' A' ' 125' ' ' TRP . 1.6 m -151.9 94.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.538 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 22.5 t80 -115.16 143.56 45.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 26.0 m-70 -153.0 163.7 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -116.47 139.51 50.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.4 -136.39 20.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 179.86 5.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 50.1 m -45.36 152.71 0.62 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HD2' ' CE2' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -75.0 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 5.3 mt-10 -66.51 118.45 10.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 10' ' ' GLU . 1.4 m -165.88 110.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -76.8 112.3 21.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -74.95 -178.6 4.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.539 HG22 ' CD2' ' A' ' 17' ' ' PHE . 25.3 m -54.68 132.7 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -42.44 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -157.11 82.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.813 ' CZ ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.37 150.01 49.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.24 135.97 54.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 73' ' ' ALA . 37.6 m95 -77.13 -25.71 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.026 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.51 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 3.8 m -58.96 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.652 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -58.64 -101.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.813 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -48.01 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -177.16 -171.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.47 34.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 127.13 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 15.4 m95 -139.44 150.64 45.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.11 162.68 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.63 ' HE2' ' NH1' ' A' ' 58' ' ' ARG . 6.2 mt-10 -92.31 152.4 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -130.47 -96.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -91.67 81.29 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 146.16 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD1' ' CD2' ' A' ' 160' ' ' LEU . 2.7 m-85 -62.16 135.93 95.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -138.89 178.83 1.49 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.11 2.04 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.26 79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -124.52 117.36 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 81.5 m-85 -164.95 168.65 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.55 123.16 0.87 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -146.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.6 m 59.42 57.65 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -145.23 176.5 24.23 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -154.97 132.78 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.12 126.3 29.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 158.73 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.8 m-85 -112.45 125.96 54.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 m -101.94 109.92 60.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.62 6.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.99 49.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.64 -168.19 13.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.47 -29.62 10.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.77 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.047 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.0 118.76 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 149.4 46.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 47' ' ' TYR . 35.8 t -139.45 132.03 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.58 118.74 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.63 ' NH1' ' HE2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -104.38 141.98 35.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -151.18 124.47 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -171.47 -175.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.64 123.48 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.611 ' CD1' ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -89.25 106.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.7 m-70 34.51 44.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.43 34.56 9.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -139.88 100.86 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.47 111.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.611 ' CG ' ' CD1' ' A' ' 62' ' ' ILE . 32.0 p90 -128.12 147.98 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -151.91 113.73 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttm -120.3 123.51 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.8 165.23 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -178.07 -171.22 41.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.75 143.51 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB2' ' CH2' ' A' ' 19' ' ' TRP . . . -102.33 128.44 48.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 36.0 t80 -145.73 149.55 40.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -62.23 -51.25 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.17 -126.51 3.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.56 115.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.3 p -46.43 -46.08 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 82' ' ' GLY . 1.1 mp -40.75 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.16 -104.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG2' ' CG1' ' A' ' 76' ' ' VAL . 2.1 tttt 45.2 55.3 6.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -104.82 106.95 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.2 p90 -86.76 141.79 28.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -113.54 125.34 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.556 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.79 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.91 106.31 10.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 p -84.96 149.41 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.3 t -150.29 96.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.11 -94.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.95 36.18 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.24 97.99 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -107.13 124.95 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -134.38 143.37 47.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.48 110.48 22.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.3 m -92.8 135.54 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.99 124.83 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.736 ' CE1' ' CE2' ' A' ' 129' ' ' TRP . 24.6 t80 -121.46 110.69 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.26 111.16 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.489 ' CG1' HG12 ' A' ' 14' ' ' VAL . 54.5 t -81.21 95.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.7 mt -36.24 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.92 95.82 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.619 ' CG2' ' CE1' ' A' ' 17' ' ' PHE . 8.8 t -90.82 144.03 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 18.2 m-20 -90.56 -8.93 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.652 ' ND2' HE22 ' A' ' 21' ' ' GLN . 12.4 p30 41.86 32.76 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -48.82 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -150.05 -44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.648 ' CE1' ' CB ' ' A' ' 144' ' ' ALA . 1.7 p90 -108.7 148.82 29.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -118.69 123.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.57 HG12 ' CE1' ' A' ' 148' ' ' TYR . 1.2 tp -108.83 120.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.16 160.41 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.54 ' CE2' ' HD2' ' A' ' 9' ' ' PRO . 1.3 t80 -133.74 124.61 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 t -128.25 170.16 13.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 124' ' ' HIS . 4.7 m -156.37 134.56 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 5.6 ptm180 -107.38 113.02 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 2.3 t80 -65.27 125.34 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.589 ' HD2' ' HB2' ' A' ' 121' ' ' LYS . 19.3 p-10 -113.88 98.57 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -19.99 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.05 -59.82 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.589 ' HB2' ' HD2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -97.95 5.57 48.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.1 mttt 77.93 -53.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.37 -137.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 115' ' ' CYS . 1.2 p-80 -157.67 172.61 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CE3' ' O ' ' A' ' 2' ' ' VAL . 84.4 m95 -120.77 163.47 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.452 ' CB ' ' HB ' ' A' ' 2' ' ' VAL . 64.0 t0 -93.16 137.22 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -175.17 98.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.472 HG22 ' CE1' ' A' ' 99' ' ' PHE . 4.9 p -121.27 179.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.736 ' CE2' ' CE1' ' A' ' 99' ' ' PHE . 12.5 p90 -133.66 141.68 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.006 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.519 ' C ' ' CD2' ' A' ' 131' ' ' LEU . 60.8 t -113.8 139.62 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -115.81 159.1 21.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.509 ' CB ' HG11 ' A' ' 29' ' ' VAL . 2.9 t -150.0 150.48 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.9 mtt180 -48.24 -51.78 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -103.43 -172.54 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.66 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.93 153.96 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.493 ' C ' ' CG2' ' A' ' 138' ' ' THR . 4.9 mt -73.34 139.91 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 8.0 p -152.95 -168.94 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 37.55 -158.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -24.95 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 108' ' ' ASN . . . -51.92 -43.47 63.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -59.01 -37.83 77.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.1 m -75.85 -37.39 59.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.648 ' CB ' ' CE1' ' A' ' 109' ' ' TYR . . . -54.97 -46.25 75.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.492 ' CG2' HD13 ' A' ' 137' ' ' LEU . 2.1 t -70.52 -47.05 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -54.29 -57.03 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.45 -54.13 41.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 111' ' ' ILE . 8.1 t80 -55.78 -49.62 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 152' ' ' SER . 57.6 mt -55.82 -56.4 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 146' ' ' GLU . 93.7 mt -41.44 -49.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.83 36.21 3.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 149' ' ' LEU . 23.7 p -75.23 123.37 88.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.23 5.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' ASP . 3.3 m -143.86 -43.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.47 HG13 ' CZ ' ' A' ' 148' ' ' TYR . 7.2 p -51.77 92.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.5 OUTLIER -82.46 101.02 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 21.1 p -46.97 -42.7 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.57 -19.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -92.3 -47.47 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.603 ' CD2' ' CD1' ' A' ' 32' ' ' TYR . 5.6 mt -50.8 173.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.5 t -150.7 127.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.3 156.0 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' VAL . 11.3 p -42.17 163.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 p30 161.03 111.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 14.1 p90 -117.17 -52.96 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER 76.2 147.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -44.9 -36.94 3.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.54 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -83.39 -56.8 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -48.77 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -51.34 112.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.4 t -91.38 143.27 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.32 102.65 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.7 OUTLIER 54.65 172.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 174' ' ' ASN . 0.3 OUTLIER 82.55 -71.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.31 56.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.51 ' C ' ' CD1' ' A' ' 177' ' ' TRP . 0.0 OUTLIER -75.28 168.43 20.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.5 m 65.14 96.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -118.34 162.95 27.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.46 12.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.444 1.76 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . 0.545 ' HB3' ' CE1' ' A' ' 179' ' ' HIS . 11.9 pt20 -155.02 -155.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -73.93 171.26 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -135.28 129.11 33.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.1 tptp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 31.1 m -128.05 141.17 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 26.1 t80 -106.76 148.32 28.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 12.6 m-70 -156.58 166.62 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -109.9 146.72 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 90.76 -134.04 12.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.448 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -118.82 -177.67 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 22.8 m -48.65 145.93 5.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -75.82 117.5 17.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -151.9 114.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -72.07 112.44 14.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.03 161.85 38.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.617 HG21 ' CD1' ' A' ' 17' ' ' PHE . 15.7 m -48.01 123.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -32.35 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -154.99 83.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -65.95 146.05 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.61 123.76 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.601 ' CE3' HG23 ' A' ' 54' ' ' VAL . 0.8 OUTLIER -87.25 7.27 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -46.3 -37.22 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -69.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -44.84 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.89 -164.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.85 -147.95 47.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 134.9 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.555 ' CZ3' HD13 ' A' ' 110' ' ' ILE . 13.0 m95 -139.11 132.31 29.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -101.77 131.57 47.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 108.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.8 161.24 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.83 -86.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -118.59 112.92 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -137.21 147.7 46.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.905 ' HH ' ' HD2' ' A' ' 126' ' ' ASP . 20.8 m-85 -38.61 160.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.531 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 5.65 3.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 68.52 166.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.5 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.52 8.38 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.02 44.17 50.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -125.8 -172.2 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 46.0 m-85 -155.51 170.3 22.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.59 121.86 1.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.597 ' CB ' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -140.03 -169.18 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.69 23.29 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.42 175.8 23.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -141.64 123.04 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.06 104.2 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -98.91 159.04 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD2' HG22 ' A' ' 56' ' ' VAL . 34.4 m-85 -123.02 126.81 47.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 m -104.26 110.42 64.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 118.98 5.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.03 51.55 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.96 -171.09 13.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -30.86 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.79 161.93 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG23 ' CE3' ' A' ' 19' ' ' TRP . 30.4 m -135.5 120.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -66.28 148.74 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 47' ' ' TYR . 49.0 t -137.41 124.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.45 118.19 28.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 135.04 53.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -153.38 120.23 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 p30 -156.14 -173.95 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.4 p -124.22 134.95 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.593 HD11 ' CD2' ' A' ' 67' ' ' TYR . 71.2 mt -127.87 113.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 38.42 78.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.89 49.83 5.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 108.54 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.15 112.33 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -88.41 160.35 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 5.2 t80 -165.76 146.73 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -173.82 123.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 36.5 mt-10 -128.1 165.64 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 156.06 130.38 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.3 t -73.05 165.91 24.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HB1' ' CH2' ' A' ' 19' ' ' TRP . . . -118.56 114.13 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 47.1 t80 -132.78 148.18 68.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 135.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -79.83 -51.42 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.11 -131.71 5.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.51 114.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -41.96 -58.51 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -47.39 -61.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -50.95 157.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 14' ' ' VAL . . . -61.66 -107.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 44.05 54.08 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 74' ' ' TYR . 1.1 mp -97.03 108.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.09 136.58 33.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' THR . 14.9 m-70 -106.5 121.84 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -84.79 107.93 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 26.5 ptt180 -104.41 119.24 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.457 ' CG2' HG23 ' A' ' 94' ' ' THR . 1.1 p -102.26 142.14 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' GLY . 12.3 t -140.94 90.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.78 -90.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -119.08 28.93 6.4 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t80 -141.71 93.53 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.744 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.457 HG23 ' CG2' ' A' ' 89' ' ' THR . 94.5 m -106.95 139.25 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -147.1 141.11 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.97 109.98 22.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' HIS . 14.9 t -92.88 149.29 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 85' ' ' TYR . 61.7 t -103.26 130.78 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 114' ' ' SER . 42.1 t80 -133.16 110.51 10.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -97.46 108.98 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' LEU . 76.7 t -77.26 102.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.486 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.9 mt -34.57 -86.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.71 100.81 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t -89.27 155.97 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.428 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -91.14 -33.4 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.407 ' ND2' ' C ' ' A' ' 105' ' ' ASP . 2.2 m-80 65.24 39.54 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -55.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -140.64 -48.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.599 ' CD1' ' HB3' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -104.45 157.69 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.611 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -133.57 126.19 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 148' ' ' TYR . 2.1 tp -103.42 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.419 ' C ' HG23 ' A' ' 128' ' ' VAL . . . 175.11 172.12 39.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.584 ' CE2' HG23 ' A' ' 154' ' ' VAL . 19.8 t80 -167.03 114.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 44.3 t -126.25 169.62 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.444 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -156.92 131.14 8.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 108.33 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -98.93 136.74 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 116' ' ' ARG . 4.6 t80 -73.47 141.81 46.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.36 117.21 24.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -59.89 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.47 -61.13 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -67.6 -19.29 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.24 -57.15 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.94 -153.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.6 p80 -140.68 177.05 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.623 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.8 m95 -140.29 137.24 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.905 ' HD2' ' HH ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -99.41 101.55 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -117.06 101.2 8.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 112' ' ' GLY . 14.7 p -116.78 170.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . 5.4 p90 -138.46 131.03 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 30' ' ' ALA . 97.9 t -94.59 135.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.7 OUTLIER -112.11 159.66 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.415 ' HB2' HG12 ' A' ' 29' ' ' VAL . 2.9 t -150.09 142.14 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 108' ' ' ASN . 24.7 ttp180 -48.28 -27.09 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 -178.9 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -30.66 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.23 145.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.489 ' C ' ' CG2' ' A' ' 138' ' ' THR . 6.9 tp -74.96 143.75 43.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.489 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 4.6 p -152.78 -165.94 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 35.92 -154.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.05 23.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.43 68.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.408 ' HA ' HD21 ' A' ' 137' ' ' LEU . 6.1 mtmt -58.62 -39.45 80.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 96.1 m -67.77 -45.94 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.599 ' HB3' ' CD1' ' A' ' 109' ' ' TYR . . . -54.17 -43.56 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.485 ' HB ' ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.44 -41.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.43 -58.01 9.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.53 -52.33 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.587 ' CD2' HD11 ' A' ' 111' ' ' ILE . 1.9 t80 -52.91 -53.85 43.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.39 -39.28 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.46 -41.28 80.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.01 -3.16 89.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 148' ' ' TYR . 18.7 m -75.48 135.94 71.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.23 14.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 113' ' ' TYR . 16.3 m -141.19 -123.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 152' ' ' SER . 3.1 p 35.78 84.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.23 104.11 11.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.462 ' HA ' ' CD1' ' A' ' 160' ' ' LEU . 4.1 p -56.11 -39.9 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -53.45 -22.51 7.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -45.79 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.514 HD21 ' CD1' ' A' ' 32' ' ' TYR . 6.4 mt -48.79 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 56.1 t -147.43 129.53 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 163' ' ' SER . 3.9 m-85 -74.0 161.93 29.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 89.8 p -38.23 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.5 OUTLIER 161.44 92.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.597 ' CD1' ' CB ' ' A' ' 41' ' ' LYS . 1.2 p90 -120.68 -50.04 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 82.53 149.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -34.34 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.04 67.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -81.64 -57.7 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 24.1 t -48.47 -45.64 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 108.353 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -56.67 125.03 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 91.9 t -105.14 149.32 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 82.7 m-20 -78.51 102.79 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.7 OUTLIER 39.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.94 -51.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -148.51 47.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -48.45 172.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.38 171.84 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 116.12 64.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.8 3.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -143.01 -157.15 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -156.67 145.85 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -135.21 129.14 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 10.9 tptt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.21 123.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -105.81 111.0 23.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -99.98 165.45 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.44 144.58 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.26 -140.58 19.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.54 -173.7 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.521 ' HA ' ' HG ' ' A' ' 115' ' ' CYS . 1.8 t -44.36 137.21 3.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' HG ' ' A' ' 115' ' ' CYS . 18.4 Cg_endo -75.03 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.8 111.98 16.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.7 m -141.51 110.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.23 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -76.92 113.27 28.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG11 ' CG1' ' A' ' 101' ' ' VAL . 20.4 m -56.02 138.99 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.14 -41.06 90.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -160.61 90.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.717 ' CE1' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.52 132.69 48.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.91 111.66 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CE3' HG23 ' A' ' 54' ' ' VAL . 64.1 m95 -62.91 -20.37 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m -48.4 -65.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -72.49 -99.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -36.7 101.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -176.48 -156.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.04 -130.91 42.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 136.1 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.7 m95 -138.98 149.88 45.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -122.52 145.87 47.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 mt-10 -74.64 147.0 41.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -117.93 -91.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -108.34 106.93 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG2' ' NZ ' ' A' ' 41' ' ' LYS . 2.5 ptpt -125.97 -172.92 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OD1' ' A' ' 156' ' ' ASP . 1.7 m-85 -90.12 144.46 31.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -75.01 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 50.8 173.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.11 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.27 -21.95 62.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 62.9 77.88 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.8 105.77 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CA ' HG12 ' A' ' 62' ' ' ILE . 38.9 p90 178.34 159.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.05 -177.62 20.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' NZ ' ' HG2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -140.77 45.26 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -144.32 59.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.04 177.29 25.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.8 p90 -137.81 118.45 14.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' CB ' ' HG3' ' A' ' 58' ' ' ARG . . . -113.74 120.58 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.95 161.03 15.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.42 134.49 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -124.75 111.36 27.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 125.84 9.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.2 52.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.87 -173.09 14.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -45.32 -31.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 162.08 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.566 HG23 ' CE3' ' A' ' 19' ' ' TRP . 13.3 m -132.81 115.55 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.88 148.83 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.97 140.03 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -131.51 117.97 19.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -153.48 119.73 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HD2' HG13 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -155.63 -174.38 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 169' ' ' ALA . 21.3 t -106.48 119.04 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD13 ' CB ' ' A' ' 67' ' ' TYR . 5.3 mt -106.93 113.18 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 m170 44.89 72.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.53 70.67 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.74 119.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.6 119.02 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -126.75 160.23 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 11.0 t80 -165.98 115.24 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.96 115.8 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.06 167.15 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.51 128.6 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 14.9 t -71.26 163.58 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.414 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.31 115.41 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.6 t80 -130.16 148.66 70.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.94 126.17 9.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.35 -49.8 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 76' ' ' VAL . . . -116.28 -131.23 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 6.4 m-20 -44.67 111.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.0 t -39.03 -48.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -55.99 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.03 150.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.1 -103.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 tptt 44.11 55.06 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.434 HG21 ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -101.41 108.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -87.25 138.59 31.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -101.95 115.02 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 114.47 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.69 119.04 38.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.478 ' CG2' HG22 ' A' ' 94' ' ' THR . 0.7 OUTLIER -111.49 135.4 52.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.44 ' HB ' ' CB ' ' A' ' 93' ' ' TYR . 62.1 t -129.83 167.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -39.45 -39.92 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.38 27.47 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.44 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -139.47 98.02 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.478 HG22 ' CG2' ' A' ' 89' ' ' THR . 25.9 m -117.02 130.31 56.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -152.82 142.36 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -96.57 111.4 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 20.4 m -93.12 142.08 27.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 85' ' ' TYR . 52.5 t -104.71 128.35 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 53.1 t80 -126.51 110.11 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.89 102.72 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 17' ' ' PHE . 48.5 t -74.18 96.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 101' ' ' VAL . 8.3 mt -36.88 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.04 105.93 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.522 HG22 ' CZ ' ' A' ' 17' ' ' PHE . 2.6 t -97.89 151.92 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' ASN . 7.8 t0 -95.1 -4.81 45.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 7.2 p30 38.72 45.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.7 -59.0 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.87 -46.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CD1' ' HB2' ' A' ' 144' ' ' ALA . 2.1 p90 -111.34 152.44 27.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.576 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -123.01 125.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 148' ' ' TYR . 1.0 OUTLIER -106.6 129.99 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -159.52 120.06 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 154' ' ' VAL . 25.2 t80 -98.21 143.2 28.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.436 ' C ' ' SG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -144.76 166.59 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.062 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.521 ' HG ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -157.37 158.21 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 122.44 27.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -79.87 133.82 36.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -119.4 126.28 51.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.83 -51.74 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -49.88 -57.48 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -20.04 61.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp 80.16 -54.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.53 -144.92 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -153.23 176.85 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.594 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -128.74 152.84 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.042 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.893 ' HD2' HG23 ' A' ' 128' ' ' VAL . 22.2 t0 -102.32 114.96 29.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -123.13 99.99 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.893 HG23 ' HD2' ' A' ' 126' ' ' ASP . 96.7 t -112.99 147.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.798 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.1 p90 -136.23 123.28 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 72.7 t -105.49 138.41 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 130' ' ' VAL . 9.8 mt -113.64 160.39 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.527 ' CB ' HG11 ' A' ' 29' ' ' VAL . 1.6 t -150.4 144.78 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.8 OUTLIER -43.2 -59.14 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 m -103.69 176.97 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -25.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 2.4 t -150.34 129.85 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.51 146.58 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' ALA . 1.3 p -143.69 -178.81 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.43 -136.97 21.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -18.0 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 138' ' ' THR . . . -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -68.31 -37.05 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 147' ' ' ASN . 39.1 m -72.25 -38.9 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.598 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . . . -53.1 -45.63 68.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.31 -52.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.37 -54.74 12.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -53.7 -49.54 67.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.574 ' O ' ' N ' ' A' ' 152' ' ' SER . 2.0 t80 -56.29 -52.42 64.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.57 ' CD2' ' CG1' ' A' ' 155' ' ' VAL . 43.0 mt -49.65 -35.33 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.1 -50.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -83.16 6.33 72.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 148' ' ' TYR . 24.9 p -76.63 139.67 67.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.422 ' C ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.96 -37.49 2.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 113' ' ' TYR . 2.2 m -151.64 110.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 149' ' ' LEU . 2.9 t -166.23 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.528 ' OD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.81 94.65 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 26.0 p -62.3 -45.59 92.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -53.71 -27.14 26.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.48 -42.53 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' A' ' 155' ' ' VAL . 4.0 mt -45.0 168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 47.5 t -149.65 130.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 1.7 m-85 -82.88 161.02 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.412 ' HA ' ' CE ' ' A' ' 41' ' ' LYS . 3.6 m -38.76 127.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 165' ' ' PHE . 30.8 m-20 -172.25 43.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 10.5 p90 -37.66 -51.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 4.1 t 72.54 149.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 171' ' ' LYS . 5.4 mt-10 -45.14 -35.98 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.36 68.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -83.89 -57.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -78.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.4 tptt -52.95 119.64 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 61' ' ' VAL . 68.8 t -96.68 151.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' ASN . 44.8 t30 -63.24 171.54 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 173' ' ' ASN . 2.9 m120 -40.61 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.63 146.62 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 56.7 t30 40.95 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -94.4 177.31 5.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 108.003 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 179' ' ' HIS . 45.1 m -130.48 172.12 12.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 178' ' ' SER . 0.1 OUTLIER -39.01 99.54 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 178' ' ' SER . 18.5 Cg_endo -74.92 -177.46 3.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.555 1.818 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -143.03 -165.84 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -138.63 151.95 47.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -135.27 129.21 33.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.431 ' N ' ' HD2' ' A' ' 159' ' ' LYS . 3.7 p30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 25.5 m -102.07 103.3 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 12.3 t80 -116.98 100.29 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.37 162.08 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.3 138.32 52.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.54 -135.05 12.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -97.41 167.9 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' ALA . 12.3 m -40.65 150.95 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.25 115.99 24.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -141.58 111.75 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -64.85 110.73 4.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 167.78 26.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 17' ' ' PHE . 5.5 m -56.6 132.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -38.45 88.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -154.01 90.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.806 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.01 130.93 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.79 109.31 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 73' ' ' ALA . 70.7 m95 -62.12 -30.59 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 107.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -48.96 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 1.6 pt20 -86.96 54.28 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.806 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 168.59 84.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.621 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.4 -160.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.61 -142.69 47.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.82 121.8 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 8.7 m95 -132.47 107.24 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -75.85 126.41 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.97 161.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 ' CB ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -126.94 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -110.94 118.73 36.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -146.15 147.8 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -52.53 141.16 34.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 2.01 7.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER 77.02 173.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -41.75 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -89.27 25.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 33.69 39.17 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -130.32 120.18 23.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 4.1 p90 -172.37 165.66 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.21 147.22 18.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -143.52 39.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -165.51 61.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.98 177.82 16.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 p90 -139.49 119.44 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.48 160.6 37.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.1 160.88 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CG ' HG23 ' A' ' 56' ' ' VAL . 9.9 m-85 -118.75 119.87 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -100.81 110.61 61.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 118.28 5.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 54.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.78 -171.86 13.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -46.74 -31.61 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.16 161.52 13.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 19' ' ' TRP . 29.5 m -132.39 116.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.46 149.42 50.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' CG ' ' A' ' 47' ' ' TYR . 77.9 t -142.35 139.01 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' HG11 ' A' ' 56' ' ' VAL . 39.4 m -131.01 119.41 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -107.85 138.17 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.2 119.23 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -176.32 -175.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.0 132.23 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.555 HD11 ' CD2' ' A' ' 67' ' ' TYR . 58.7 mt -105.18 110.53 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 40.95 70.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.75 62.6 5.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -172.27 112.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.13 113.8 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.555 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -114.47 164.17 14.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -164.62 125.44 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 138.58 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.7 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.71 167.05 25.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 t -111.72 155.72 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.448 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HB3' ' CH2' ' A' ' 19' ' ' TRP . . . -107.27 112.47 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.4 t80 -125.35 148.55 61.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.559 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 77' ' ' GLY . 1.2 t -58.14 -47.28 87.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG11 ' A' ' 76' ' ' VAL . . . -121.48 -133.03 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -46.38 115.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -42.78 -44.48 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.0 -72.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mp -46.23 150.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.4 -104.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 40.5 66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -111.15 112.56 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -89.05 137.61 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t60 -103.58 120.02 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.0 118.94 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -112.13 115.58 29.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 94' ' ' THR . 0.9 OUTLIER -102.64 140.11 37.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 89' ' ' THR . 10.6 t -151.71 170.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -39.41 105.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 42.03 33.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -146.16 94.34 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' HG21 ' A' ' 89' ' ' THR . 2.4 m -123.46 124.68 43.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -139.91 146.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -95.58 113.79 25.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 86' ' ' HIS . 8.4 m -94.0 143.96 25.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.6 t -102.05 135.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 101' ' ' VAL . 42.8 t80 -131.36 111.3 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.07 108.77 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.552 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 51.5 t -90.69 98.8 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' VAL . 12.0 mt -38.07 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -165.28 85.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.534 ' HG1' ' ND2' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -49.23 165.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.4 -28.97 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.534 ' ND2' ' HG1' ' A' ' 104' ' ' THR . 2.2 m-80 62.45 63.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 13.0 m-20 -161.65 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.775 ' CE2' ' CG2' ' A' ' 145' ' ' VAL . 1.7 t80 -102.39 146.67 27.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.61 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -117.08 131.22 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.575 HD11 ' CD2' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -104.99 153.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -174.52 177.71 46.57 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.578 ' CE2' HG21 ' A' ' 154' ' ' VAL . 44.2 t80 -160.74 123.47 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.01 172.21 8.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -145.38 129.86 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.4 112.2 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.425 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 4.3 t80 -63.82 108.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.67 98.73 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 52.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -115.94 -49.45 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 165.29 119.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.29 -146.03 18.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.6 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 26.5 p-80 -162.15 178.48 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 35.3 m95 -126.47 164.76 20.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 107.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.49 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -108.57 135.03 50.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -149.17 107.47 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.647 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 129' ' ' TRP . 10.1 p -118.56 149.42 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . 0.438 ' N ' HG21 ' A' ' 128' ' ' VAL . 7.8 p90 -106.25 123.15 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 107.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.6 ' CG1' ' CE2' ' A' ' 109' ' ' TYR . 59.2 t -98.14 129.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -116.57 143.79 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.48 ' CB ' HG21 ' A' ' 29' ' ' VAL . 29.8 t -144.11 142.09 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -53.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.1 m -102.55 -178.34 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.85 1.96 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 138' ' ' THR . 1.2 t -140.15 141.42 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.77 131.09 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 137' ' ' LEU . 1.0 OUTLIER -152.57 -167.55 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.65 -168.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -46.97 -23.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.482 ' HB2' ' CD2' ' A' ' 137' ' ' LEU . . . -52.27 -40.18 61.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -62.71 -33.71 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.7 m -69.54 -41.28 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -53.77 -40.26 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.775 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 2.5 t -74.51 -45.97 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 150' ' ' ILE . 0.5 OUTLIER -55.85 -57.85 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.67 -55.22 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.576 ' CE2' HG13 ' A' ' 155' ' ' VAL . 10.4 t80 -56.89 -49.2 76.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.4 mt -55.76 -57.92 9.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 149' ' ' LEU . 85.5 mt -38.96 -49.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.34 43.39 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -65.79 114.45 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.57 9.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -152.21 -43.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -50.97 110.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 106.8 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 149' ' ' LEU . 34.8 p -59.51 -47.34 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -53.48 -19.13 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -99.69 -38.56 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 161' ' ' VAL . 3.6 mt -50.55 163.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.535 HG12 ' HD2' ' A' ' 164' ' ' ASP . 97.1 t -138.25 144.54 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 163' ' ' SER . 8.1 m-85 -102.2 161.28 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 93.7 p -37.12 105.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.535 ' HD2' HG12 ' A' ' 161' ' ' VAL . 44.2 p-10 -159.04 82.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' A' ' 166' ' ' SER . 32.6 p90 -115.17 -46.93 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.81 147.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.2 OUTLIER -45.6 -34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.34 66.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -71.65 -57.29 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -55.25 -62.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 167' ' ' GLU . 22.7 tttt -39.43 126.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 69.8 t -98.41 151.05 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -60.49 170.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.12 171.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 m -74.21 68.37 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -104.23 62.41 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -88.72 143.35 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 55.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . 0.426 ' ND1' ' C ' ' A' ' 179' ' ' HIS . 0.0 OUTLIER -143.03 159.35 56.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.585 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.54 14.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -139.71 -158.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.98 177.56 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -133.5 121.02 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 1.2 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -115.33 147.7 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 20.4 m80 -151.49 170.56 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.55 146.23 29.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.22 -140.29 22.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -112.68 -168.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 144.38 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -170.75 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.74 116.82 20.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.505 ' CB ' HD21 ' A' ' 102' ' ' LEU . 3.2 m -149.14 112.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 113.63 27.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.419 1.747 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' CG ' ' A' ' 17' ' ' PHE . 8.3 m -54.03 135.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.662 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.6 p-10 -65.77 -41.37 92.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -151.61 91.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.37 134.05 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.51 125.04 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.9 m95 -85.07 6.17 26.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.483 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 1.2 m -47.14 -62.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -99.47 -49.18 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.708 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.36 84.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.61 -168.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.64 -136.59 16.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.31 125.43 50.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.5 m95 -127.5 152.23 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -130.57 139.67 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.953 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.22 152.49 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.062 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.48 -88.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -105.12 89.89 3.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -123.23 131.28 53.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' LYS . 22.0 m-85 -31.92 136.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.03 4.12 5.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.49 171.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -26.04 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 75.27 82.15 0.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 1.8 pttt -129.41 115.02 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.658 ' N ' HG23 ' A' ' 62' ' ' ILE . 41.7 m-85 -162.38 168.24 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.82 102.96 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 37.9 tttm -91.55 72.57 5.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 t -163.03 46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.92 177.57 17.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -138.24 118.69 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -126.55 139.76 52.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.66 161.02 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CD2' HG22 ' A' ' 56' ' ' VAL . 16.3 m-85 -119.81 114.56 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.1 m -108.5 132.37 21.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.73 18.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 41.16 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 66.99 88.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 87.14 -47.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.18 157.13 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CE3' ' A' ' 19' ' ' TRP . 27.9 m -131.41 114.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -64.45 149.27 48.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 47' ' ' TYR . 54.5 t -142.45 124.54 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 73.6 m -122.21 118.82 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 2.0 ttp180 -110.99 136.21 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.35 120.21 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -158.33 -177.74 6.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.544 HG11 ' CG2' ' A' ' 172' ' ' VAL . 52.9 t -111.38 100.95 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.039 HD12 ' CG ' ' A' ' 67' ' ' TYR . 83.7 mt -83.88 117.04 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.4 m170 38.45 79.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.23 61.54 0.98 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.71 115.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG2' HG22 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.41 112.71 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.039 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -113.77 160.9 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -164.9 125.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.86 112.81 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.48 174.44 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 165.31 127.74 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.8 t -74.96 150.61 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -104.87 112.64 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.5 t80 -125.68 149.16 64.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 121.24 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -61.89 -52.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.56 -121.45 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 118.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -53.94 -43.66 70.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -56.23 -78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 15' ' ' ASP . 5.9 mm -43.02 157.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -57.39 -104.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.22 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -112.94 108.59 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.781 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -84.11 139.01 32.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.4 m-70 -104.62 119.97 40.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -116.47 110.41 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.657 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.1 p -90.34 148.94 22.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.442 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.87 133.47 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.5 -102.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.63 37.94 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.87 147.41 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.657 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.6 m -129.52 136.12 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -128.87 136.63 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -95.6 107.0 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' HIS . 40.4 m -92.61 133.92 35.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 115.33 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 101' ' ' VAL . 21.7 t80 -115.2 109.92 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -87.99 107.88 18.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 54.2 t -82.09 98.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 ' CB ' ' A' ' 11' ' ' VAL . 11.7 mt -37.49 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.48 122.44 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.536 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.7 t -105.75 156.21 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -96.76 -12.21 23.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.469 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 49.02 57.09 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -134.17 -77.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.555 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -140.58 14.32 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -154.36 155.42 35.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -143.48 133.99 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.742 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER -111.5 168.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 179.71 -172.15 43.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.561 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 5.6 t80 -168.28 130.85 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.25 23.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 122.29 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -94.16 142.4 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.459 ' CZ ' ' O ' ' A' ' 122' ' ' LYS . 48.0 t80 -87.21 138.34 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.81 117.24 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -16.17 60.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -87.76 -9.29 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 9.7 tptt 80.75 -58.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.67 -138.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-80 -156.21 172.66 18.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -126.48 164.27 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.443 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 9.6 t70 -107.03 147.44 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.8 106.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.0 p -138.09 167.07 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.75 ' HD1' HD21 ' A' ' 131' ' ' LEU . 1.8 p90 -148.94 148.83 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.062 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -109.78 135.54 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.002 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -112.12 154.08 25.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.542 ' HB3' HG13 ' A' ' 29' ' ' VAL . 10.8 t -150.13 112.12 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -36.24 -42.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 m -102.83 148.41 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.46 -21.01 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.609 HG12 ' CG2' ' A' ' 138' ' ' THR . 14.3 t -129.04 133.23 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.685 HD11 ' HB1' ' A' ' 141' ' ' ALA . 4.2 tp -75.67 121.2 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.776 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.4 p -148.9 -177.58 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 57.24 -164.82 6.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.21 -23.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -55.55 -44.47 76.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.95 -39.12 73.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.9 m -63.41 -48.29 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.98 -43.91 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.682 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -73.0 -31.99 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.91 -56.29 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -50.99 -52.48 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 1.114 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 26.8 t80 -54.37 -53.99 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.787 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.2 mt -56.0 -57.13 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 96.9 mt -40.46 -49.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.59 40.4 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.9 p -68.23 114.01 18.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 113' ' ' TYR . 1.2 m -141.14 -44.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 1.114 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 8.4 p -54.03 89.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.63 103.07 5.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.2 p -54.01 -41.29 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.07 -19.18 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -42.36 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 1.019 HD11 HG22 ' A' ' 155' ' ' VAL . 6.4 mt -53.33 172.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.544 HG11 ' HB3' ' A' ' 33' ' ' PRO . 10.5 p -149.57 125.4 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 163' ' ' SER . 5.1 m-85 -69.78 161.82 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 162' ' ' TYR . 80.3 p -36.07 145.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.9 t0 176.38 83.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.9 p90 -117.17 -47.97 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 71.24 148.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -34.81 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.08 -39.09 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -57.1 -57.26 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.9 OUTLIER -61.26 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.27 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.44 120.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.544 ' CG2' HG11 ' A' ' 61' ' ' VAL . 84.6 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -119.46 114.64 22.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -130.33 154.66 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -108.19 143.28 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' ' ND1' ' A' ' 124' ' ' HIS . . . 97.06 -136.93 13.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.96 169.21 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.2 m -45.84 156.01 0.47 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.239 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -171.22 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -77.7 124.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.5 m -160.74 116.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -75.13 113.15 22.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.96 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 101' ' ' VAL . 27.8 m -55.66 136.95 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 81' ' ' ILE . 7.4 p-10 -66.82 -41.68 87.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -155.93 87.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -66.15 128.82 37.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -116.74 127.15 54.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 2.8 m95 -85.55 6.73 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -57.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.07 -55.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.703 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -56.75 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.456 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.29 -175.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 82.97 -147.18 24.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -86.16 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 110' ' ' ILE . 23.8 m95 -136.24 155.68 49.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 25' ' ' LYS . 9.8 m0 -138.53 140.3 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 24.4 mt-10 -60.01 155.94 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -132.41 -91.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -102.52 99.45 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.713 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -132.09 171.88 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.41 134.39 84.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -43.73 167.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.61 21.52 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.0 77.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.43 121.94 41.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 62' ' ' ILE . 8.1 m-85 -156.5 175.8 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.62 114.36 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 165' ' ' PHE . 13.8 ttmm -117.99 57.6 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -162.58 57.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.45 177.21 21.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -126.71 118.52 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -141.25 139.64 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 12.2 pt-20 -144.57 158.57 43.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.637 ' CE2' HG21 ' A' ' 56' ' ' VAL . 20.5 m-85 -107.86 128.3 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -118.72 110.49 38.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 131.73 14.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -174.16 125.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 74.05 25.59 70.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 88.94 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 159.55 20.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -119.55 115.22 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.4 148.92 50.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -141.42 128.85 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 74.3 m -129.84 118.28 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -110.57 139.6 45.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -153.4 120.73 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -169.71 -175.09 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.2 m -115.49 100.14 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 40.1 mt -84.29 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER 38.99 66.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.628 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.28 63.28 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -170.21 125.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.38 120.11 9.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -124.0 159.07 30.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 19.5 t80 -165.55 121.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 ttp -138.44 107.14 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.6 pt-20 -104.35 168.56 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 169.69 164.11 24.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.05 143.08 47.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -96.69 112.76 24.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 48.0 t80 -127.14 148.6 66.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -74.99 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -67.68 -50.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -118.54 -127.82 3.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -44.7 107.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -38.2 -50.99 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -54.93 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 15' ' ' ASP . 9.6 mm -38.73 157.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.36 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 44.67 54.09 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -102.49 110.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -91.86 138.62 31.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.663 ' NE2' ' HB2' ' A' ' 73' ' ' ALA . 3.8 m-70 -102.15 122.04 43.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.56 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 114.31 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.2 114.56 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 94' ' ' THR . 1.6 p -93.02 148.9 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.7 t -146.62 93.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . 36.45 62.98 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.77 -34.92 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 90' ' ' VAL . 4.1 t80 -75.89 93.05 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.726 HG23 HG22 ' A' ' 89' ' ' THR . 21.0 m -99.51 124.98 45.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 142.84 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -96.51 107.82 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 86' ' ' HIS . 7.7 m -97.27 128.91 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 118.32 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 8.6 t80 -121.04 110.14 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -92.71 119.49 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.812 HG21 ' HE2' ' A' ' 17' ' ' PHE . 55.4 t -87.11 103.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.3 mt -38.07 -87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -155.26 111.0 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.849 HG21 ' CE1' ' A' ' 17' ' ' PHE . 3.3 t -101.14 151.16 22.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -94.37 -1.15 54.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASP . 2.7 m120 38.59 63.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.61 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -133.55 -42.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.968 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -109.67 160.55 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -138.43 141.66 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.569 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -122.73 137.93 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -157.7 125.03 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.872 ' HA ' HG22 ' A' ' 128' ' ' VAL . 9.8 t80 -94.16 113.25 25.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.25 168.03 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.4 129.22 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 128.88 53.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -68.31 128.29 36.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' LYS . 0.4 OUTLIER -101.4 109.96 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -52.65 52.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.168 . . . . 0.0 110.35 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.7 -57.08 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -13.55 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER 78.79 -60.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.44 -136.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 6' ' ' GLY . 32.3 p-80 -158.97 170.69 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -126.25 155.37 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.51 ' OD1' ' CE2' ' A' ' 113' ' ' TYR . 1.1 t70 -101.74 99.4 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.62 100.79 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.532 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 113' ' ' TYR . 53.5 t -94.42 138.98 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 6.7 p90 -125.12 121.56 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 72.6 t -103.28 141.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -118.04 158.29 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.647 ' HB2' HG21 ' A' ' 29' ' ' VAL . 26.2 t -150.45 153.27 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -55.32 -48.68 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -105.1 164.28 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -56.03 -25.8 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.91 142.06 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.702 ' CD2' ' HB1' ' A' ' 141' ' ' ALA . 1.8 mt -75.74 140.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -154.02 -169.24 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 39.62 -160.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -48.28 -26.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.78 -34.23 62.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -71.9 -34.31 69.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -78.1 -33.48 50.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.968 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.45 -45.56 76.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.665 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 77.2 t -71.86 -49.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.42 -55.76 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -53.62 -54.31 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.569 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 2.3 t80 -56.8 -47.31 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.634 HD12 HG12 ' A' ' 145' ' ' VAL . 34.7 mt -57.36 -54.77 43.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.8 mt -40.54 -49.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -98.11 36.73 3.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.687 ' HB2' HG13 ' A' ' 155' ' ' VAL . 11.3 p -70.65 128.81 90.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.0 Cg_endo -75.07 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.697 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -121.67 -38.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.891 ' CG2' HD11 ' A' ' 160' ' ' LEU . 4.0 p -51.59 103.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.73 101.16 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.89 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.0 p -46.68 -43.52 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.33 -19.99 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -49.96 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.891 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.5 mt -44.65 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 31' ' ' LYS . 11.9 p -151.46 141.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 10.7 m-85 -84.34 158.39 21.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.0 p -39.44 157.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.51 98.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.528 ' CG ' ' HB3' ' A' ' 41' ' ' LYS . 29.4 p90 -118.63 -47.58 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 74.02 149.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -34.69 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.39 -38.46 63.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -69.39 -55.7 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.05 -52.68 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -58.59 108.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.402 HG11 ' CE1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -100.99 150.17 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -153.18 166.18 33.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.99 142.94 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 79.4 -136.1 16.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.39 -169.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 7.3 m -50.62 143.87 13.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -170.47 0.78 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 11' ' ' VAL . 6.6 mt-10 -73.71 117.8 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.3 m -151.82 115.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -75.57 113.37 25.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 170.18 20.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.729 HG13 HG12 ' A' ' 101' ' ' VAL . 14.7 m -54.59 137.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -65.3 -42.0 93.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -155.83 95.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.724 ' CE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.91 160.02 24.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.67 124.07 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.519 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.4 m95 -83.95 4.09 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -49.57 -38.83 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -116.92 -63.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.669 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.25 93.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -177.24 -165.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.98 -140.65 30.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -98.1 125.06 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.4 m95 -130.48 171.71 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.03 144.69 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 6.0 mm-40 -66.76 147.91 52.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -115.01 -86.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -106.71 91.82 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.645 ' O ' HG12 ' A' ' 161' ' ' VAL . 4.9 tttm -121.07 155.02 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE1' HG11 ' A' ' 2' ' ' VAL . 6.4 m-85 -53.77 133.46 56.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.745 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.04 2.79 6.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER 57.65 179.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.05 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -111.53 14.19 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 51.52 97.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.78 96.71 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER 175.16 156.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 138.08 9.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -106.17 44.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -141.74 61.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.76 177.24 32.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -134.7 143.46 47.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.77 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.03 111.58 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.5 161.77 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.3 m-85 -121.93 126.64 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -105.87 110.95 64.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.28 8.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 42.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.81 -169.67 16.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -49.11 -30.77 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -92.87 160.41 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.519 HG21 ' CE3' ' A' ' 19' ' ' TRP . 14.6 m -136.65 113.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 149.41 43.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 47' ' ' TYR . 78.8 t -145.81 135.1 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 15.3 m -127.62 117.03 21.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.77 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -112.18 133.21 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -153.85 120.17 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 1.3 p-10 -146.88 -175.54 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.644 HG21 ' O ' ' A' ' 170' ' ' CYS . 29.3 m -111.62 98.71 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.881 HD12 ' CG ' ' A' ' 67' ' ' TYR . 43.4 mt -87.26 120.43 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 39.09 76.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.78 69.26 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 172' ' ' VAL . 1.3 ttpp -177.09 114.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 112.61 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.881 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -106.81 168.07 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 45.1 t80 -164.8 129.5 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 ttm -153.75 98.54 2.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -97.36 168.38 10.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 168.24 127.37 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 11.4 t -73.31 168.25 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -116.04 128.16 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.5 t80 -142.87 147.46 41.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.98 135.91 19.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -75.54 -48.03 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -130.45 -120.15 2.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.48 112.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -47.45 -45.52 25.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ILE . 11.9 mttp -56.5 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -38.53 155.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.51 -107.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 43.81 61.05 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -108.51 114.05 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -93.67 143.18 26.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 97' ' ' THR . 10.3 m170 -103.78 154.62 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.25 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -104.03 133.14 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -105.91 146.85 29.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 90' ' ' VAL . 16.8 t -140.21 88.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.68 62.86 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.84 -35.99 3.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.01 98.11 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -97.38 137.63 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -138.03 140.59 40.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -96.39 110.87 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.0 t -92.76 142.78 26.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.1 t -97.29 123.62 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.784 ' CE2' ' CE2' ' A' ' 129' ' ' TRP . 0.1 OUTLIER -113.22 109.82 19.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.68 106.29 18.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.765 HG22 ' HZ2' ' A' ' 129' ' ' TRP . 73.2 t -87.55 92.52 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.7 mt -33.1 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -161.18 96.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.691 HG23 ' OD1' ' A' ' 106' ' ' ASN . 6.3 t -92.35 146.98 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.2 t0 -77.61 -34.73 53.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.691 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.0 m-80 70.76 61.81 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.64 -63.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.834 ' OD1' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -130.92 -45.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.975 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -106.13 160.07 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -138.83 134.44 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -116.41 140.98 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -165.41 149.65 16.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.489 ' CE1' HG23 ' A' ' 154' ' ' VAL . 8.6 t80 -128.32 114.51 16.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 3.4 p -123.19 135.78 54.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -134.56 150.56 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.07 128.93 37.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.22 110.88 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 120' ' ' ASP . 37.4 m-20 -118.52 97.58 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 59.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -78.76 -62.66 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -116.05 -50.81 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 169.99 81.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.81 -144.62 12.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 115' ' ' CYS . 6.6 p80 -151.68 179.25 8.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -122.3 164.48 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -122.33 164.96 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.429 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 1.3 t60 -170.07 116.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 112' ' ' GLY . 55.4 t -95.09 139.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.784 ' CE2' ' CE2' ' A' ' 99' ' ' PHE . 23.3 p90 -108.12 103.2 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 29' ' ' VAL . 22.0 t -98.02 102.45 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.839 ' N ' HD23 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -96.74 154.66 17.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.532 ' HB3' HG13 ' A' ' 29' ' ' VAL . 1.3 t -149.49 150.91 33.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -51.34 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.3 m -104.67 172.89 6.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -59.41 -23.42 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.55 148.29 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -74.14 134.14 42.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 19.2 p -148.34 -178.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.9 -172.07 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.45 -26.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.834 ' HB2' ' OD1' ' A' ' 108' ' ' ASN . . . -52.81 -39.6 62.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -36.32 70.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 0.9 OUTLIER -77.1 -37.25 54.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.975 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.43 -45.59 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.757 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.4 t -71.99 -45.54 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 4.9 mm-40 -54.22 -55.41 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -52.23 -55.04 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 155' ' ' VAL . 10.2 t80 -55.96 -50.72 70.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 83.1 mt -55.48 -56.84 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.32 -49.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.04 41.1 2.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -67.81 124.72 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -29.87 7.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.5 OUTLIER -148.69 -47.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 1.02 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.2 p -53.31 93.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.1 p30 -73.43 107.65 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.742 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.6 p -58.73 -43.33 90.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.47 -24.49 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.72 10.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 1.02 HD11 ' CG2' ' A' ' 155' ' ' VAL . 3.3 mt -45.36 167.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 33' ' ' PRO . 9.8 p -150.04 145.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 11.5 m-85 -90.0 161.95 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 34.8 m -35.79 139.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.29 66.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 52.9 p90 -88.21 -47.74 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.506 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 73.13 149.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.42 -34.63 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.2 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -78.88 -46.85 17.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.644 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 m -58.04 -63.83 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 108.266 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.61 118.11 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 65' ' ' LYS . 10.7 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 126' ' ' ASP . 5.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 39.5 t80 -109.5 153.63 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 33.3 m-70 -151.64 168.0 26.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -109.37 137.96 46.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.618 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 76.47 -131.66 11.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -111.28 -172.9 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 58.9 m -45.84 150.54 0.98 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.2 mt-10 -81.91 125.15 30.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 102' ' ' LEU . 3.4 m -162.52 113.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -67.35 111.73 8.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 17' ' ' PHE . 24.0 m -53.85 124.68 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 81' ' ' ILE . 4.0 p-10 -64.43 -37.85 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -155.55 83.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -66.42 153.47 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -146.78 132.15 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 54' ' ' VAL . 5.7 m95 -86.53 4.38 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -62.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -89.42 -88.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -35.23 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.596 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -177.68 -169.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.641 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.19 -137.4 23.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -82.33 118.78 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.88 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 18.5 m95 -145.97 142.23 28.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.473 ' CZ3' ' O ' ' A' ' 40' ' ' GLY . 6.1 m95 -133.46 149.71 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 6.6 mt-10 -55.55 144.21 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -111.08 -83.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.764 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -126.51 119.25 26.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.512 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -150.59 170.19 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 3.0 m-30 -58.53 135.01 85.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.2 Cg_endo -75.01 130.24 13.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -50.55 175.13 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.98 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.35 24.45 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.34 82.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 137.95 50.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -163.11 174.68 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . . . -171.45 119.95 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 2.2 ttmt -111.31 -152.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 28.0 p 41.96 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.4 177.16 29.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.471 ' N ' ' CE3' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -108.36 126.15 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -127.63 142.29 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -155.18 161.49 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.8 m-85 -123.15 134.6 54.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -111.79 109.9 55.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.13 63.13 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -164.42 25.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -29.95 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.69 158.69 15.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 19' ' ' TRP . 3.5 m -136.29 114.63 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 149.38 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' TYR . 41.1 t -131.55 136.54 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.2 p -131.48 138.1 48.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -141.5 157.22 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.61 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -155.47 -178.14 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 170' ' ' CYS . 31.1 m -119.49 114.25 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.967 HD12 ' CG ' ' A' ' 67' ' ' TYR . 34.3 mt -97.58 122.89 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.7 m170 40.25 62.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.781 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 50.3 68.03 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 7.3 ttpt -173.49 122.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.89 113.12 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.5 t80 -117.32 165.34 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 17.4 t80 -153.67 139.11 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.2 ttt -134.8 116.91 15.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -131.67 169.66 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.36 165.73 21.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 87' ' ' SER . 7.3 t -116.4 151.97 34.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB1' ' HH2' ' A' ' 19' ' ' TRP . . . -114.53 112.35 22.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 29.7 t80 -132.53 149.19 72.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -64.05 -52.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.98 -124.26 3.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.89 122.1 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -53.39 -46.65 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.6 mm -41.97 160.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -63.8 -102.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 48.37 47.13 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.256 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.92 107.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 85' ' ' TYR . 5.2 p90 -85.8 136.15 33.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.2 m-70 -98.13 126.93 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.51 ' HB2' HG22 ' A' ' 72' ' ' THR . 20.0 m -83.69 108.29 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.78 136.26 54.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.598 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.4 p -99.83 147.31 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 93' ' ' TYR . 40.8 t -143.9 123.14 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.05 63.37 0.76 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.61 41.93 57.55 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 2.3 t80 -142.83 93.91 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.598 ' OG1' HG22 ' A' ' 89' ' ' THR . 96.1 m -69.15 130.86 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -133.86 138.01 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -95.49 106.32 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.8 m -95.35 133.15 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.1 t -90.28 122.56 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.5 t80 -124.4 109.17 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -89.74 116.56 27.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.65 HG22 ' CE2' ' A' ' 99' ' ' PHE . 72.9 t -86.98 101.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -38.73 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -166.96 98.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.9 t -91.03 155.73 18.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.453 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -82.05 -36.37 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 104' ' ' THR . 4.4 m-80 72.74 52.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.81 -67.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.707 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.3 m-80 -143.27 15.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.884 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -159.09 149.85 19.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.2 mp -141.36 127.06 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.792 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.4 OUTLIER -105.51 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 170.79 -174.04 44.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 102' ' ' LEU . 15.0 t80 -167.11 115.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 0.719 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -117.78 164.06 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.41 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 4.9 p -155.66 151.66 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -122.44 131.93 54.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -77.91 137.79 38.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.83 111.01 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -43.41 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.28 -59.15 5.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -18.5 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 mptt 73.95 140.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.54 -134.19 15.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.7 p80 -158.21 162.12 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -112.88 158.8 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 42.0 m-20 -95.58 159.07 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -175.89 88.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.633 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.2 p -106.51 163.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 131' ' ' LEU . 3.5 p90 -146.81 138.2 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.708 ' C ' HD23 ' A' ' 131' ' ' LEU . 92.3 t -120.09 124.06 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.796 ' N ' HD23 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -101.33 153.34 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.485 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -149.3 142.73 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -42.25 -53.72 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 136' ' ' VAL . 7.0 m -100.28 151.62 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.451 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 1.2 ptp -42.03 -26.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -121.81 156.22 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -75.07 133.57 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.7 p -152.4 -176.92 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.56 -171.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.86 -26.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.34 -28.57 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -72.79 -35.22 67.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -71.52 -38.54 71.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.884 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.95 -45.19 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.843 HG23 ' CD2' ' A' ' 109' ' ' TYR . 3.9 t -70.7 -46.01 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.74 -49.9 64.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -51.95 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.792 ' CE2' HD11 ' A' ' 111' ' ' ILE . 8.5 t80 -54.9 -49.77 70.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 157' ' ' SER . 27.5 mt -50.69 -56.55 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.8 mt -46.09 -49.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.18 42.13 2.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 149' ' ' LEU . 19.3 m -67.52 125.23 90.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.808 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.99 -21.89 15.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -166.13 -38.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.798 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -51.34 116.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.78 101.09 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.7 p -50.16 -46.34 54.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -53.36 -28.3 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -38.95 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.798 HD11 HG22 ' A' ' 155' ' ' VAL . 1.3 mt -47.43 168.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 32.4 t -151.0 144.18 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.764 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m-85 -92.4 161.3 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.0 m -46.64 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 159.07 105.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 166' ' ' SER . 25.9 p90 -115.58 -46.79 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 12.6 m 69.43 150.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.06 -34.14 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.67 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -77.39 -57.3 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.786 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -55.4 -56.92 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -47.19 118.09 2.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 170' ' ' CYS . 60.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 126' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -116.18 138.76 50.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.62 136.63 49.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.11 -134.17 12.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.17 -168.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.3 m -50.53 157.35 1.28 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -75.02 -171.07 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.649 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.0 mt-10 -81.37 120.63 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 10' ' ' GLU . 6.6 m -158.83 113.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -70.92 112.82 14.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 178.47 7.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.048 HG21 ' CD1' ' A' ' 17' ' ' PHE . 18.7 m -55.82 133.62 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.658 ' HA ' HD13 ' A' ' 81' ' ' ILE . 18.5 p-10 -66.18 -35.35 80.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -158.77 96.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.048 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.56 159.39 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -158.02 121.52 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.477 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.8 m95 -86.34 6.22 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.979 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.456 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -46.16 -44.46 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.83 -85.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.646 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -29.58 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.54 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -177.07 -161.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.41 -138.19 33.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -96.73 132.12 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.788 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 16.0 m95 -139.33 137.2 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 36.3 m0 -115.34 141.19 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.8 mt-10 -59.41 156.21 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -128.59 -88.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -106.38 92.08 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 -172.81 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.459 ' C ' ' H ' ' A' ' 34' ' ' SER . 2.5 m-85 -88.06 141.72 31.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 51.7 173.61 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 t30 -106.11 26.99 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 35.91 76.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 100.46 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.741 ' CA ' HG23 ' A' ' 62' ' ' ILE . 36.4 p90 179.16 165.98 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.68 170.56 23.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -139.92 40.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.66 67.64 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -147.27 177.13 25.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -119.73 122.85 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -119.94 97.88 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -100.04 159.46 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 56' ' ' VAL . 11.4 m-85 -123.52 133.65 53.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -113.7 110.48 49.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.99 129.27 12.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.97 50.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.84 -173.24 14.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -45.83 -31.68 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.82 158.1 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 49' ' ' PRO . 2.5 m -133.1 119.97 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 149.09 31.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 47' ' ' TYR . 76.0 t -137.71 122.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 4.2 m -122.28 118.32 28.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.63 138.94 51.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.67 120.28 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.26 177.94 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 170' ' ' CYS . 22.1 m -104.44 98.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.004 HD12 ' CG ' ' A' ' 67' ' ' TYR . 74.3 mt -73.88 114.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m170 39.74 77.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 40.91 59.61 2.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.49 117.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 114.74 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -127.16 160.63 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 9.7 t80 -165.45 128.62 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.3 mmt -145.48 124.65 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.9 pt-20 -122.7 167.24 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -179.22 -145.31 6.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.0 t -158.77 144.5 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.357 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -95.24 112.43 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 47.5 t80 -127.96 148.57 67.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.99 135.44 19.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.614 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -79.79 -51.03 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.15 -123.4 2.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -44.2 112.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -50.33 -41.5 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -56.92 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.1 mm -46.22 157.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.96 -106.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.5 55.9 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.729 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -106.93 111.35 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.614 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -90.87 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' NH1' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -100.5 120.55 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.603 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 124.13 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' NH1' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -119.35 105.78 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.498 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.16 148.88 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 91' ' ' GLY . 45.9 t -142.45 168.39 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.34 -49.26 1.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.92 32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.8 94.22 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 89' ' ' THR . 2.2 m -116.39 120.01 37.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -137.9 146.53 43.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -95.57 113.29 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' HIS . 18.6 m -92.92 135.97 33.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.0 t -100.01 117.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.639 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.8 t80 -118.51 110.16 17.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -93.56 102.36 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.811 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.7 t -70.68 96.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.72 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.9 mt -34.08 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -146.43 108.53 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.515 HG23 ' OD1' ' A' ' 106' ' ' ASN . 10.2 t -100.78 139.81 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.99 -16.31 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER 49.2 71.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -75.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.53 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -124.95 -40.02 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.992 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -112.36 162.98 14.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.788 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -143.94 135.29 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -108.95 172.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . 174.79 -175.41 46.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' A' ' 9' ' ' PRO . 21.0 t80 -166.76 113.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.83 171.13 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -157.83 126.66 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.504 ' CE1' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t80 -64.98 134.05 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.71 96.33 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.504 ' OE1' ' CE1' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -76.1 51.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.13 -60.46 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 18.64 16.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.39 74.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.16 -138.67 5.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 115' ' ' CYS . 7.5 p80 -163.68 179.39 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -125.54 161.9 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 2' ' ' VAL . 33.2 t0 -97.31 158.86 15.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.77 102.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.549 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 1.6 p -105.2 163.49 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.453 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 3.1 p90 -139.87 141.33 36.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 107.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.018 ' C ' HD23 ' A' ' 131' ' ' LEU . 42.4 t -119.9 138.07 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.018 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -115.45 160.85 19.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.592 ' OG ' HG13 ' A' ' 29' ' ' VAL . 12.4 p -146.76 160.5 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 108' ' ' ASN . 3.8 ttp180 -64.08 -56.51 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 m -105.69 -173.75 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -62.59 -11.81 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 135' ' ' MET . 1.9 t -159.61 110.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 141' ' ' ALA . 0.4 OUTLIER -65.2 145.15 56.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 10.7 p -144.6 177.41 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.414 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.91 -146.67 48.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -26.63 43.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 137' ' ' LEU . . . -56.28 -45.82 79.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -60.7 -40.12 91.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 95.7 m -65.23 -37.69 88.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.992 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.65 -45.53 70.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.809 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.6 t -72.84 -50.69 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -55.99 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.72 -54.4 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.72 ' HE1' HD13 ' A' ' 102' ' ' LEU . 17.2 t80 -56.92 -50.85 71.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 145' ' ' VAL . 84.7 mt -56.35 -54.56 44.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 22.1 mt -40.33 -50.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.07 38.6 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.596 ' CB ' HG13 ' A' ' 155' ' ' VAL . 5.7 p -69.2 117.12 49.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.744 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.33 11.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -149.41 -43.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 1.007 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p -52.52 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 154' ' ' VAL . 2.2 p30 -74.71 103.49 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.862 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.3 p -54.26 -37.73 65.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -54.25 -18.35 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -46.72 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 1.007 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -47.54 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 53.4 t -150.77 121.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 2.1 m-85 -67.55 162.16 23.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -36.33 124.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -173.77 68.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 166' ' ' SER . 42.4 p90 -84.71 -48.95 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.598 ' N ' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 72.91 149.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 171' ' ' LYS . 3.0 mt-10 -45.91 -35.03 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.16 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -79.78 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.637 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 t -54.68 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -38.45 127.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.531 ' HB ' HG11 ' A' ' 61' ' ' VAL . 7.2 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 125' ' ' TRP . 6.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 73.3 t80 -86.26 158.9 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 53.8 m-70 -155.07 170.44 21.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -105.27 139.26 40.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 -134.66 18.52 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.77 -171.02 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 56.2 m -46.43 140.29 5.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.95 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.3 mt-10 -77.96 123.58 26.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.7 m -158.35 115.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -75.88 114.18 34.5 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.27 29.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 17' ' ' PHE . 16.1 m -49.08 135.06 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 81' ' ' ILE . 2.6 p-10 -66.29 -42.99 87.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -154.31 86.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.811 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.46 129.6 40.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -119.56 123.26 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -69.76 -14.77 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -56.13 10.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' CD ' ' HB3' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -106.09 54.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 175.31 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.64 -160.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.92 -145.55 49.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 2.8 mtpm? -82.45 126.52 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.871 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.9 m95 -140.95 140.95 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -120.9 130.16 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 3.2 mm-40 -49.85 157.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -120.07 -83.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -123.21 106.03 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 32' ' ' TYR . 13.2 ptmt -133.53 135.87 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.9 m-85 -32.36 134.8 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.016 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -146.1 172.51 5.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.84 6.47 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.88 94.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 mttt -115.92 100.14 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 70.3 m-85 -162.59 160.1 25.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.58 113.71 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -105.57 72.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 m -173.0 46.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -135.19 177.26 19.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -134.83 129.87 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -132.7 165.46 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -155.86 152.2 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' HG21 ' A' ' 56' ' ' VAL . 9.4 m-85 -107.92 115.64 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 92.0 m -105.74 118.04 56.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.96 121.6 6.69 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.549 1.815 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.5 45.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 73.44 87.27 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.3 tttt 87.05 -48.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.7 158.67 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.68 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 31.3 m -134.5 112.13 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.1 mttt -72.32 147.16 46.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 47' ' ' TYR . 87.4 t -132.61 132.0 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.28 117.67 23.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.66 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -111.42 142.88 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -152.64 119.91 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 67' ' ' TYR . 2.5 p-10 -156.31 -176.02 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 172' ' ' VAL . 10.2 p -123.81 97.69 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.838 HD12 ' CG ' ' A' ' 67' ' ' TYR . 5.0 mt -74.34 121.85 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m170 63.59 -96.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . -140.75 35.54 1.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -142.26 126.64 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.69 112.52 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.838 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -105.04 162.62 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 8.5 t80 -165.46 133.77 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mtt -144.05 155.48 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 27.0 mt-10 -140.75 166.53 24.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 172.63 148.26 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -110.88 151.71 27.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.68 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -109.8 117.74 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 38.8 t80 -132.09 148.98 71.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.593 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.02 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.875 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -56.3 -52.86 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.78 -118.74 2.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.46 113.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -48.38 -50.86 29.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -53.32 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.1 mp -39.49 155.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.16 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt 43.63 65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -115.68 107.98 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.875 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -81.31 134.82 35.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 97' ' ' THR . 1.4 m-70 -100.65 128.11 46.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -83.87 114.56 21.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -109.31 107.3 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.793 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -88.58 138.46 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 91' ' ' GLY . 86.7 t -136.71 167.43 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -40.03 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 52.42 31.33 35.54 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.03 101.66 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.793 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.7 m -115.58 137.19 52.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 6.8 tptt -149.46 144.86 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.3 mptt -95.76 111.5 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 86' ' ' HIS . 8.7 t -93.31 144.25 25.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.89 125.06 46.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.3 t80 -122.1 109.74 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -86.6 104.32 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.811 HG11 ' CE2' ' A' ' 17' ' ' PHE . 41.2 t -82.16 98.27 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.6 mt -38.75 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -161.81 129.09 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -111.58 170.16 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.431 ' N ' ' OG1' ' A' ' 104' ' ' THR . 1.6 t0 -97.64 -7.46 30.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.409 ' HB3' ' CD ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 43.91 53.94 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -67.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.92 19.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.766 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.88 152.15 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.871 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -145.97 128.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.54 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -115.52 170.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.465 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -174.38 -177.02 43.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 154' ' ' VAL . 7.5 t80 -167.26 112.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 24.3 p -130.36 151.71 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -147.67 143.99 28.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.325 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -109.13 120.92 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -73.41 120.77 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -105.96 117.75 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -18.65 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -50.19 22.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -89.26 -12.75 39.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 79.4 -54.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.7 -141.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -159.85 173.6 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 5.0 m95 -134.16 135.35 43.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.79 155.86 16.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.89 116.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.636 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 0.2 OUTLIER -128.31 163.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.492 ' HD1' HD21 ' A' ' 131' ' ' LEU . 7.5 p90 -131.92 126.1 33.3 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.03 ' C ' HD23 ' A' ' 131' ' ' LEU . 91.6 t -94.74 132.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.03 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.45 152.92 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.2 t -150.35 159.12 44.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -55.93 -50.89 69.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -104.12 -168.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -0.86 55.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.07 147.07 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 145' ' ' VAL . 1.3 mt -75.05 134.08 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.5 p -152.79 -174.61 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.23 -169.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -46.98 -24.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.58 -38.5 63.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -63.0 -35.27 79.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 2.3 m -72.21 -38.96 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.34 -47.2 76.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 137' ' ' LEU . 4.4 t -69.36 -43.08 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 3.2 mm-40 -56.42 -57.86 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -54.5 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.913 ' CE1' HG11 ' A' ' 155' ' ' VAL . 3.0 t80 -56.8 -48.65 77.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 145' ' ' VAL . 23.4 mt -56.9 -56.9 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -39.67 -50.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.53 40.85 2.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB3' HG13 ' A' ' 155' ' ' VAL . 1.8 p -68.37 114.0 18.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.747 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.01 -13.44 21.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.1 OUTLIER -165.33 -42.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.913 HG11 ' CE1' ' A' ' 148' ' ' TYR . 7.5 p -54.34 93.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -78.99 107.22 11.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.935 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.1 p -58.03 -45.39 87.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.24 -20.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -92.63 -47.05 7.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -46.41 171.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 33' ' ' PRO . 8.5 p -150.2 130.61 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 22.6 m-85 -77.75 160.77 28.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' VAL . 19.8 m -39.38 159.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.8 m-20 161.49 104.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.652 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 26.0 p90 -120.29 -46.02 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.508 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 83.36 144.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.96 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.19 -34.54 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.13 -33.29 57.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -69.99 -55.19 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -34.38 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -75.03 144.87 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 61' ' ' VAL . 56.0 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.441 HG11 ' HE3' ' A' ' 159' ' ' LYS . 35.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.43 153.47 20.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -146.87 171.17 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.428 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 11.6 t0 -102.4 141.63 34.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 73.33 -144.07 33.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -117.15 -167.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 m -51.94 136.29 37.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 108.331 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -80.87 121.99 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.3 m -155.17 113.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.39 113.41 25.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.2 Cg_endo -75.0 169.99 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.074 HG21 ' CD2' ' A' ' 17' ' ' PHE . 3.4 m -55.05 123.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.742 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -157.78 88.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.074 ' CD2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.21 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -123.15 116.64 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 2.8 m95 -84.1 7.38 18.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.056 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -62.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -98.49 -46.6 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -57.17 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -177.67 -178.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.59 -138.83 14.46 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -105.64 122.48 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 110' ' ' ILE . 15.2 m95 -127.23 167.9 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -141.91 132.54 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -39.87 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.61 HG22 ' CB ' ' A' ' 132' ' ' SER . 1.2 t -119.18 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.587 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -121.93 95.72 4.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 165.87 14.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 38.2 m-85 -60.75 139.55 93.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 128.95 11.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.27 167.39 1.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -90.19 19.24 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.23 79.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.4 mttt -129.77 138.47 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.994 ' O ' HG23 ' A' ' 62' ' ' ILE . 13.2 m-85 -155.34 174.88 14.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.0 113.64 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -105.55 -142.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.2 p 42.24 41.27 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.23 177.46 20.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 59' ' ' TYR . 1.9 p90 -122.05 119.93 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -136.1 98.73 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.55 159.21 15.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.9 m-85 -121.27 117.96 28.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -98.0 109.91 53.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HA ' HG13 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.0 131.16 13.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -152.8 48.72 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.19 -171.88 13.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -31.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.55 152.6 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG13 ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -125.83 141.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -85.43 147.86 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CD2' ' A' ' 47' ' ' TYR . 99.1 t -135.14 133.87 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.7 p -131.37 117.87 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -115.64 133.74 55.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.96 120.65 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -167.67 172.59 9.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.729 HG12 ' HG2' ' A' ' 66' ' ' GLU . 5.1 m -101.56 116.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.994 HG23 ' O ' ' A' ' 39' ' ' TYR . 26.2 mt -104.53 118.78 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 38' ' ' LYS . 47.3 m170 45.73 77.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.564 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.81 60.35 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 115.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.729 ' HG2' HG12 ' A' ' 61' ' ' VAL . 36.1 mt-10 -63.9 112.84 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -111.1 165.01 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 58' ' ' ARG . 69.2 t80 -164.76 149.08 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ttm -166.79 117.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 5.7 pt-20 -118.63 169.47 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.5 161.26 12.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.7 t -110.6 148.17 32.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 114.49 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 30.8 t80 -129.55 146.67 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.95 129.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -78.17 -49.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.43 -129.81 5.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -49.14 113.09 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 74.3 m -39.06 -55.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 9.0 ptpt -54.22 -55.91 23.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -52.79 151.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.62 -105.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 41.55 55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.87 111.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.6 p90 -91.81 130.64 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.632 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -94.91 121.61 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.596 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -80.13 119.27 22.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.632 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 2.2 mtp180 -98.57 106.43 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.53 142.51 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 91' ' ' GLY . 43.9 t -141.99 169.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.542 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.59 -44.14 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.7 36.7 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.68 104.4 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.7 m -117.17 116.74 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -133.67 138.14 45.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 1.3 mtpt -95.43 112.92 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.454 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 53.6 m -97.32 141.55 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.7 132.41 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.2 t80 -131.4 110.47 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.5 108.89 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.644 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 50.7 t -88.72 102.31 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -34.72 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.446 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -166.33 103.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.431 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -84.68 155.64 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -86.77 0.37 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' ASP . 2.6 p-10 38.75 68.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -75.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.818 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.14 -39.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.797 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -108.47 160.57 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.716 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -135.64 137.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.797 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.8 tp -118.27 142.56 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.482 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -155.26 179.06 31.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -165.25 113.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 80.5 p -129.04 157.1 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.4 145.69 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -106.09 122.91 47.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.98 128.12 34.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.605 ' OD1' ' CD1' ' A' ' 125' ' ' TRP . 7.5 p-10 -143.89 98.96 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.94 53.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -86.08 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.34 12.56 17.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.18 73.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.25 -151.22 7.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.0 p80 -163.15 157.56 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.605 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 54.6 m95 -107.38 125.38 51.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.09 134.97 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.25 128.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.738 HG22 ' H ' ' A' ' 129' ' ' TRP . 5.8 p -132.67 179.95 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.781 ' HD1' HD21 ' A' ' 131' ' ' LEU . 8.7 p90 -142.34 120.11 11.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.029 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.027 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.9 t -93.63 140.46 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.027 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -116.96 140.39 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.61 ' CB ' HG22 ' A' ' 29' ' ' VAL . 12.5 p -122.78 141.79 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -57.61 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m -105.7 -163.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -27.48 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.92 157.54 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.673 HD21 ' HB ' ' A' ' 145' ' ' VAL . 9.4 tp -74.5 135.15 42.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.805 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.9 p -152.89 -169.84 3.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 41.66 -153.77 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.083 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -20.65 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -56.15 -43.79 78.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -65.0 -31.34 72.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.8 m -69.81 -51.0 37.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.4 -44.91 72.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.673 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -69.91 -32.62 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.7 -58.15 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -50.08 63.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.901 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 36.8 t80 -55.23 -53.96 49.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 157' ' ' SER . 51.7 mt -55.63 -55.37 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 83.1 mt -40.01 -48.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.05 40.69 2.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.6 p -68.11 112.98 12.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.582 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.95 -21.13 16.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 153' ' ' PRO . 2.4 m -156.54 -44.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.901 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 7.5 p -53.23 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.77 108.32 8.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.946 ' HA ' HD12 ' A' ' 160' ' ' LEU . 9.9 p -59.8 -44.8 93.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -53.92 -19.83 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.441 ' HE3' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -92.15 -47.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.5 mt -48.55 174.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 34.8 t -150.4 122.16 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.3 m-85 -68.19 161.13 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' VAL . 12.7 m -42.62 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 163' ' ' SER . 3.7 m-20 159.8 88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 34.0 p90 -110.0 -47.85 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER 65.58 149.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -34.32 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.07 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -70.0 -55.38 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.763 ' O ' HG23 ' A' ' 172' ' ' VAL . 15.2 m -57.24 -57.56 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -54.45 119.68 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 170' ' ' CYS . 48.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 2.6 p90 -73.06 122.2 21.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 50.7 m80 -90.82 173.14 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.92 149.21 24.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 -138.15 18.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -105.2 -168.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -70.18 147.01 95.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -170.34 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' VAL . 15.0 mt-10 -85.01 127.08 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.0 m -155.26 115.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -75.3 113.79 29.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.98 166.0 30.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 101' ' ' VAL . 4.2 m -54.1 138.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.04 -42.94 88.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -158.29 91.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 115.11 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 53.6 m95 -62.91 -21.8 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.046 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -48.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 5.5 pm0 -95.17 55.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 175.43 83.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.567 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.72 -164.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 70.64 -146.03 41.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -92.27 118.31 30.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.695 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.6 m95 -121.52 148.72 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.42 116.87 23.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.46 158.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.929 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -119.93 -86.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -124.96 123.96 41.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.58 159.07 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.428 ' N ' HD23 ' A' ' 160' ' ' LEU . 2.8 m-85 -49.58 130.52 19.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 129.9 12.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -46.75 173.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -91.92 24.87 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.19 83.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -128.88 132.26 47.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 15.9 m-85 -156.89 176.06 13.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.54 118.86 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -111.63 80.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' C ' ' HB3' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -168.16 72.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.08 176.88 33.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 p90 -132.27 121.34 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.575 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -136.37 142.53 43.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -142.6 151.18 41.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD2' HG22 ' A' ' 56' ' ' VAL . 10.2 m-85 -105.62 104.84 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.0 m -93.54 131.39 32.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 131.63 14.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 48.47 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 59.23 87.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 86.54 -48.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -91.8 155.12 18.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 4.9 m -129.42 110.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.815 ' HG2' HG22 ' A' ' 72' ' ' THR . 1.9 mtpt -66.22 134.46 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 47' ' ' TYR . 68.2 t -129.96 130.72 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.3 m -131.89 118.09 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.6 mtp180 -113.56 136.69 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.08 119.49 5.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -159.51 -175.25 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 61' ' ' VAL . 17.9 m -115.55 99.19 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 27.8 mt -87.86 117.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 40.71 79.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.828 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.94 51.69 1.53 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.28 108.6 2.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -60.91 112.86 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -102.54 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.07 133.74 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -160.45 119.67 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.7 pt-20 -126.97 170.43 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.83 175.21 38.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' HG2' ' A' ' 55' ' ' LYS . 76.7 p -119.16 127.82 53.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -83.35 111.92 19.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.6 t80 -128.24 149.33 71.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 126.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 77' ' ' GLY . 1.1 t -72.23 -49.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.09 -132.61 4.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.74 115.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -43.08 -48.33 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -54.29 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.58 150.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -51.8 -106.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 45.2 58.94 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -109.49 112.81 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -96.44 144.22 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' THR . 13.1 m-70 -102.33 132.58 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.408 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 11.8 t -80.31 109.71 15.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 12.2 ptm180 -103.53 125.17 49.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.994 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.1 p -100.23 137.37 38.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' GLY . 1.5 t -121.84 162.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.8 57.81 0.35 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 173.94 -55.28 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -149.32 161.76 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.994 ' OG1' HG22 ' A' ' 89' ' ' THR . 16.2 m -102.91 140.08 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 4.5 tptt -125.46 143.52 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -96.28 112.68 24.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' HIS . 38.1 m -93.14 125.53 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.57 128.81 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.763 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 87.7 t80 -133.6 110.07 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -83.05 128.69 34.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 17' ' ' PHE . 54.3 t -101.24 101.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' HE1' ' A' ' 148' ' ' TYR . 10.5 mt -39.8 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.27 116.57 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -104.57 160.32 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -8.68 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 3.4 m-80 46.64 55.25 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 -70.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.502 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -143.62 21.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.878 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -159.61 145.63 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.695 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -141.26 133.99 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -124.3 149.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -164.82 126.69 1.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.946 ' HA ' HG22 ' A' ' 128' ' ' VAL . 7.0 t80 -107.94 113.06 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 17.6 t -126.92 155.13 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.403 ' SG ' ' CG ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -156.56 142.64 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 117' ' ' TYR . 2.4 tpt180 -126.73 131.82 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.42 ' N ' ' HD2' ' A' ' 116' ' ' ARG . 44.0 t80 -81.27 117.6 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 120' ' ' ASP . 1.5 m-20 -138.44 128.68 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 44.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -111.08 -48.16 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 163.95 -33.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.98 -151.56 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 124' ' ' HIS . 1.3 p-80 -101.02 174.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 109.625 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -117.35 113.89 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -94.84 103.02 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 115.29 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 113' ' ' TYR . 24.9 t -104.16 153.23 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.763 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -137.8 138.15 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 29' ' ' VAL . 50.0 t -120.73 121.68 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 130' ' ' VAL . 5.5 mt -103.18 153.12 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.8 t -149.28 158.15 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.21 -17.19 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -175.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.03 4.39 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 131.08 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.929 ' HG ' HG11 ' A' ' 29' ' ' VAL . 2.2 mt -72.7 137.22 45.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.605 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 18.8 p -151.63 -169.33 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.02 -156.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.07 -23.94 22.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.91 -29.52 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 138' ' ' THR . 1.5 mtmm -75.69 -26.01 57.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.3 m -82.99 -39.9 20.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.756 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.06 -46.39 75.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.878 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.7 t -71.62 -47.06 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -57.03 12.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.46 -54.47 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.679 ' HE1' HD13 ' A' ' 102' ' ' LEU . 16.8 t80 -56.75 -49.37 75.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.2 mt -56.12 -57.23 13.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LEU . 79.2 mt -39.4 -49.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.28 40.66 2.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.4 p -67.78 127.99 93.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.52 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.453 HG23 ' CE2' ' A' ' 113' ' ' TYR . 6.8 m -149.33 -43.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.88 102.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.29 103.96 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB3' HD22 ' A' ' 149' ' ' LEU . 1.4 p -54.4 -37.78 65.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.51 -16.67 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.9 OUTLIER -104.93 -39.94 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 155' ' ' VAL . 3.5 mt -44.99 169.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 3.4 t -147.31 136.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.679 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 2.8 m-85 -86.81 162.21 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.2 m -41.52 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.8 m-20 157.12 101.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 21.3 p90 -120.6 -48.12 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 79.96 146.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -35.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.05 -38.11 62.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.65 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -66.76 -54.92 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.63 -48.43 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.68 110.73 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.828 HG13 ' HA2' ' A' ' 64' ' ' GLY . 18.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -112.91 147.74 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 48.6 m80 -148.34 168.92 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.655 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.77 142.7 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.94 -144.06 33.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -91.32 176.96 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 124' ' ' HIS . 59.2 m -40.89 152.32 0.25 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -171.27 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.814 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.756 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.1 mt-10 -75.53 124.51 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.6 m -162.06 110.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 112.43 21.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.0 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG13 HG12 ' A' ' 101' ' ' VAL . 13.8 m -56.84 130.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.5 t70 -66.06 -38.86 89.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -152.6 94.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.768 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -68.16 130.25 42.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.79 112.15 22.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CE3' HG21 ' A' ' 54' ' ' VAL . 28.9 m95 -69.27 -11.11 60.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 4.9 pm0 -102.34 62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 175.78 83.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.636 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.83 -164.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 -146.71 44.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 12.0 mtmt -79.97 118.87 22.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.7 m95 -135.78 134.93 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.463 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 6.8 m0 -117.83 127.85 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 15.2 mt-10 -46.0 155.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -121.84 -90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -106.54 101.33 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -128.6 168.0 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' O ' ' OH ' ' A' ' 39' ' ' TYR . 25.8 m-85 -74.51 131.64 79.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -74.98 114.04 3.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.94 171.39 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.94 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -84.05 7.66 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.82 76.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 14.1 ttpt -131.0 135.1 47.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 25.7 m-85 -166.04 171.58 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.62 108.09 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -104.26 80.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -172.28 42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -131.41 178.9 17.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -136.99 118.82 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -119.23 156.87 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.1 m-85 -102.19 124.68 48.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -99.71 109.56 55.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.04 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 50.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -164.88 12.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.39 163.17 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 49' ' ' PRO . 4.5 m -135.1 124.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -77.48 149.24 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' TYR . 46.9 t -139.43 136.38 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.0 m -131.22 117.62 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.733 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 ttm180 -106.55 140.34 39.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.75 120.27 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.38 -175.28 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.5 m -115.37 98.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.989 HD12 ' CG ' ' A' ' 67' ' ' TYR . 73.7 mt -81.08 117.02 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 m170 40.97 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.583 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 39.01 59.2 1.78 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.12 117.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.51 113.2 3.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.989 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -115.46 164.67 13.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -165.07 133.35 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.3 mmt -147.76 113.5 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 170.09 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 167.48 137.47 2.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.4 t -96.36 150.84 20.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -104.97 112.0 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 35.7 t80 -125.0 148.49 60.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -62.67 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.61 -126.78 2.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.14 111.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.7 p -45.85 -45.49 15.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.0 mttm -55.51 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -42.6 164.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.59 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.33 63.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.94 105.92 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.791 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -78.97 135.52 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.549 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -107.37 121.05 43.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.66 131.73 35.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 104.61 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.782 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.7 p -82.77 148.58 27.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -149.3 101.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.41 -94.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.98 36.94 2.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.89 95.66 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.5 m -105.77 131.25 53.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -140.02 145.39 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -95.6 115.92 28.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 24.3 m -100.26 141.05 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.83 139.62 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -131.75 110.51 10.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 113' ' ' TYR . 1.2 m-80 -85.73 102.0 13.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.768 HG21 ' HE2' ' A' ' 17' ' ' PHE . 43.1 t -83.55 92.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 148' ' ' TYR . 6.2 mt -35.44 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.464 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -163.06 114.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.94 160.5 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -90.54 -2.86 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 40.34 66.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 -70.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.648 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.5 m-80 -147.33 18.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.872 ' CD2' HG22 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.23 160.12 40.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.521 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -146.3 135.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.505 ' HB ' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.11 165.08 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.912 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.96 173.04 46.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 154' ' ' VAL . 11.9 t80 -151.58 111.9 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.01 165.22 13.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -157.19 135.81 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 16.8 ptt180 -104.07 121.84 44.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.74 125.62 27.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' LYS . 7.7 t0 -107.72 122.87 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.12 -51.65 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.16 -47.78 68.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -83.59 -17.0 43.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER 79.04 -56.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.93 -135.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 1.8 p-80 -160.74 174.12 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 76.2 m95 -125.81 160.76 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.8 149.83 22.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -175.16 115.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.912 HG21 ' C ' ' A' ' 112' ' ' GLY . 1.5 p -139.71 168.74 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.772 ' HD1' HD21 ' A' ' 131' ' ' LEU . 3.9 p90 -135.26 137.06 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.994 HG12 HG23 ' A' ' 29' ' ' VAL . 73.7 t -106.11 128.34 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.92 ' N ' HD23 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -106.41 156.3 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.428 ' HB2' HG21 ' A' ' 29' ' ' VAL . 3.3 t -149.65 150.41 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.483 ' CB ' ' OD1' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -51.04 -57.04 9.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 m -99.8 173.91 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -26.47 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -122.78 144.77 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 145' ' ' VAL . 1.2 mt -67.63 133.52 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 81.5 p -151.33 -172.29 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 45.26 -170.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -46.73 -24.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.53 -32.0 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -71.12 -30.33 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.4 m -79.27 -37.95 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 137' ' ' LEU . 11.7 t -71.44 -48.71 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 150' ' ' ILE . 2.1 mm-40 -52.52 -57.03 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.69 -54.13 45.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.705 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 29.0 t80 -56.47 -49.98 73.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 157' ' ' SER . 22.7 mt -56.78 -56.53 20.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 149' ' ' LEU . 27.8 mt -37.76 -49.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.75 43.35 1.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.4 p -67.26 126.79 93.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.46 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.94 -26.31 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -156.11 -44.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.7 p -52.99 102.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 159' ' ' LYS . 0.4 OUTLIER -89.42 101.75 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 157' ' ' SER . . . . . 1.016 ' HB3' HD22 ' A' ' 149' ' ' LEU . 6.5 p -46.89 -41.19 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -52.96 -22.22 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -91.22 -47.5 7.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.2 mt -46.89 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' A' ' 33' ' ' PRO . 5.6 t -149.93 130.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.9 m-85 -78.87 157.4 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 14.0 m -41.47 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.4 OUTLIER 156.53 110.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.8 p90 -122.49 -47.52 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.1 OUTLIER 79.45 147.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -34.51 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.81 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -68.35 -57.86 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.756 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.1 OUTLIER -54.83 -48.77 72.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.322 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.64 120.22 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 170' ' ' CYS . 81.7 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 32' ' ' TYR . 1.8 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -111.63 102.24 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 22.4 m-70 -102.26 169.66 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.567 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -98.67 144.92 27.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.48 -135.5 14.97 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.72 -173.0 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 137.95 3.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.98 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -79.79 110.95 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.63 115.22 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -75.33 113.55 26.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -74.96 175.49 11.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG13 HG12 ' A' ' 101' ' ' VAL . 3.3 m -52.88 129.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HA ' HD13 ' A' ' 81' ' ' ILE . 11.7 p-10 -65.29 -34.11 77.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.19 93.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.66 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -65.53 159.61 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -157.71 121.31 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -85.78 5.9 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -47.45 -47.28 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.049 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.75 -56.58 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -56.67 84.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -171.04 -173.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.2 -145.99 20.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.85 120.77 41.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' ' CD1' ' A' ' 110' ' ' ILE . 12.4 m95 -123.36 171.75 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 19.5 m0 -143.14 129.59 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mp0 -47.94 146.18 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.978 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -115.05 -80.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -132.4 113.82 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -137.35 150.45 47.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 2' ' ' VAL . 3.5 m-85 -42.82 134.03 2.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.95 122.19 7.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.1 178.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -42.85 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -104.09 20.48 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 42.24 78.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.63 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 pttt -128.59 120.76 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 9.8 m-85 -166.04 169.99 14.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.41 117.46 0.92 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 3.1 mptt -102.48 57.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.11 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.25 171.58 21.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -122.79 122.57 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -117.25 98.8 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.48 161.77 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -123.23 126.53 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -106.26 110.01 63.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.9 43.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -165.91 12.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -46.67 -30.56 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 158.98 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.754 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.6 m -136.76 117.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.11 139.4 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -130.21 123.26 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.707 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -116.29 133.36 56.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.59 120.6 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -146.85 -174.44 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' OE1' ' A' ' 66' ' ' GLU . 43.6 t -114.82 99.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.116 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -64.06 149.91 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' ILE . 18.4 m170 -36.99 88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 65.47 54.12 28.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.9 159.7 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.802 ' OE1' HG13 ' A' ' 61' ' ' VAL . 51.6 mm-40 -122.79 112.62 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.116 ' CD1' HD12 ' A' ' 62' ' ' ILE . 13.5 p90 -130.01 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 3.5 t80 -164.15 108.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.9 mmt -105.05 133.37 49.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.474 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -141.34 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.57 136.96 2.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.6 t -75.06 152.82 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . . . -102.06 114.09 27.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 19.7 t80 -129.66 149.5 73.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.1 t -66.41 -53.63 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.65 -119.4 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.19 114.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -50.99 -44.82 60.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.64 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.2 mm -44.99 154.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.75 -106.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.08 61.25 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -108.75 107.92 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.806 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.81 139.79 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 73' ' ' ALA . 9.6 m-70 -104.05 121.61 43.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.69 108.85 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 97' ' ' THR . 0.1 OUTLIER -103.37 116.94 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.571 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.62 145.16 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' GLY . 55.7 t -141.64 90.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.39 -86.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -129.75 33.31 3.0 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -144.52 94.54 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 89' ' ' THR . 22.6 m -90.31 135.15 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 135.11 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -95.28 107.21 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.53 HG21 ' NH1' ' A' ' 88' ' ' ARG . 65.8 m -94.17 140.22 30.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.03 127.51 61.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CE2' HG22 ' A' ' 101' ' ' VAL . 2.7 t80 -126.23 109.69 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.43 103.73 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG22 ' CE2' ' A' ' 99' ' ' PHE . 70.3 t -75.18 96.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.802 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.2 mt -35.9 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -166.87 89.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.43 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.1 t -77.05 154.62 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 106' ' ' ASN . 23.1 p-10 -94.0 -1.89 53.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 38.95 64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -62.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.796 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -139.87 -43.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.91 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -108.25 154.24 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.719 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -122.93 133.21 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.768 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.6 tp -111.03 131.93 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.54 164.53 31.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -152.44 113.18 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.6 p -125.97 138.99 53.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 139.25 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 127.98 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.03 138.95 46.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.93 125.72 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.44 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -50.1 -56.67 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -67.66 -20.39 65.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 80.32 -54.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.45 -141.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 5' ' ' ASP . 10.0 p-80 -154.58 176.51 12.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -132.8 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -112.92 113.15 25.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 2.6 p80 -130.59 104.74 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.9 OUTLIER -105.52 -178.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 128' ' ' VAL . 4.1 p90 -147.29 124.88 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.927 ' C ' HD23 ' A' ' 131' ' ' LEU . 85.3 t -105.7 124.16 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.927 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -112.44 149.86 31.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB3' HG22 ' A' ' 29' ' ' VAL . 2.0 t -149.86 151.03 32.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -52.19 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 m -104.51 -171.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.4 148.34 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.978 ' HG ' HG11 ' A' ' 29' ' ' VAL . 7.2 mt -75.08 142.43 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.734 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -154.73 -167.32 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 33.9 -151.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.143 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.08 -24.61 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -52.16 -45.79 65.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -63.64 -36.08 82.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.6 m -66.77 -49.37 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.91 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.35 -40.62 71.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.63 -39.38 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.17 -56.84 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -54.03 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.802 ' HE1' HD13 ' A' ' 102' ' ' LEU . 18.4 t80 -56.6 -49.51 74.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.1 mt -56.59 -56.8 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 98.0 mt -40.61 -48.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.39 39.72 2.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.2 p -68.74 115.65 32.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.96 7.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -146.1 -44.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.976 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.5 p -53.26 90.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.2 p30 -74.3 104.1 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.768 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.7 p -56.49 -43.17 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -52.81 -23.12 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -38.66 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.976 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.7 mt -47.21 170.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 31' ' ' LYS . 13.6 p -146.02 135.04 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.4 m-85 -92.99 161.98 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 28.9 p -39.27 160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.4 m-20 159.2 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 27.4 p90 -117.53 -42.3 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 71.77 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.48 -34.82 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.23 -35.16 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -75.84 -54.47 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -54.0 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.45 163.85 26.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 2' ' ' VAL . 36.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.7 t80 -74.84 156.79 36.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.459 ' NE2' ' OD2' ' A' ' 126' ' ' ASP . 79.7 m-70 -143.41 178.8 7.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.4 13.88 11.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.97 -137.41 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.76 -166.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.17 133.48 95.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.03 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.6 mt-10 -84.15 126.96 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -153.66 111.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -75.99 113.16 24.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.07 171.96 17.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.782 HG13 HG12 ' A' ' 101' ' ' VAL . 30.2 m -56.06 138.05 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -67.53 -42.53 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.8 p30 -152.25 89.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.957 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.5 OUTLIER -66.98 124.06 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.84 124.38 50.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 13.7 m95 -76.31 -3.78 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -50.5 -55.61 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -113.01 61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.9 OUTLIER 174.83 82.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -177.65 -158.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.564 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 65.06 -149.62 51.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 122.43 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 8.8 m95 -136.15 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.01 134.89 46.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 163.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -123.72 -77.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 161' ' ' VAL . . . -134.51 116.33 14.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.2 134.79 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' LYS . 50.9 m-85 -30.38 127.89 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' CG1' ' A' ' 161' ' ' VAL . 18.3 Cg_endo -75.04 143.12 28.56 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -59.22 178.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.02 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.7 t-20 -93.63 23.74 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.07 77.91 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -129.52 135.89 49.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 44.2 m-85 -167.82 173.38 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.98 108.13 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -103.29 63.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.6 m -163.57 51.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.32 177.41 22.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 10.3 p90 -130.64 142.18 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.588 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -144.52 114.95 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -113.07 159.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.731 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.8 m-85 -109.27 134.78 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -108.7 109.13 61.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 116.06 4.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.32 43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.01 -164.37 15.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -29.41 18.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -96.77 158.6 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 73' ' ' ALA . 35.1 m -133.0 121.78 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -75.89 148.64 38.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.731 HG21 ' CE2' ' A' ' 47' ' ' TYR . 17.6 t -140.02 136.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 p -131.34 117.82 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.588 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.1 ttt85 -109.65 143.37 39.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.96 120.78 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.09 -174.48 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.69 99.19 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.021 HD12 ' CG ' ' A' ' 67' ' ' TYR . 44.1 mt -82.66 122.53 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 m170 40.0 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 59.73 1.04 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -162.59 121.47 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.4 113.72 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.021 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.3 t80 -123.01 159.86 27.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 10.1 t80 -165.58 139.87 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 121.44 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.66 166.84 10.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -177.95 158.23 23.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.4 t -123.2 145.35 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -100.26 112.35 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 37.3 t80 -126.58 148.73 65.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.01 129.79 12.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.46 -46.96 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.01 -124.18 2.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 114.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 m -45.55 -50.89 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' ILE . 42.7 mttp -55.41 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 15' ' ' ASP . 16.8 mm -39.41 157.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.34 -106.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.41 59.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.8 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.12 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.698 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -81.14 137.85 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.711 ' O ' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -107.02 136.7 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.583 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 106.07 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.61 110.74 22.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.8 p -77.03 149.68 35.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 90' ' ' VAL . 3.1 t -139.51 90.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.24 50.47 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.17 -39.13 2.98 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -74.58 100.73 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 89' ' ' THR . 37.3 m -98.78 129.34 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -133.76 137.09 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -96.5 104.9 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 86' ' ' HIS . 13.2 t -91.49 141.38 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.7 127.68 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 40.0 t80 -124.89 110.55 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -86.35 108.14 18.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.782 HG12 HG13 ' A' ' 14' ' ' VAL . 66.7 t -78.04 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -31.13 -86.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -154.5 73.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.957 HG21 ' CE1' ' A' ' 17' ' ' PHE . 9.6 t -53.8 144.67 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.462 ' C ' ' ND2' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -77.82 -35.7 51.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' A' ' 104' ' ' THR . 3.4 m-80 71.25 49.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -78.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.812 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 2.4 m120 -123.52 -42.58 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 1.176 ' CE2' HG23 ' A' ' 145' ' ' VAL . 2.6 t80 -110.07 143.66 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.716 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -112.49 135.88 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.813 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -109.86 133.9 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.509 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -159.1 167.7 34.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.487 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 48.8 t80 -149.89 132.86 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 148.74 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -147.2 131.69 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.348 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -101.63 141.58 34.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.33 130.16 34.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.73 96.79 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.62 59.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -110.48 14.1 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 80.07 72.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.62 -137.49 3.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 3.8 p-80 -161.33 179.12 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.592 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 4.6 m95 -142.01 148.08 37.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . 60.1 m-20 -108.2 153.08 23.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 127' ' ' HIS . 1.0 OUTLIER -161.21 94.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 112' ' ' GLY . 1.4 p -98.89 157.83 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.752 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 1.4 p90 -120.68 146.24 46.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 99.1 t -124.92 125.2 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -117.4 141.86 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.617 ' OG ' HG13 ' A' ' 29' ' ' VAL . 88.2 p -143.01 148.99 37.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -42.44 63.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 m -102.01 175.26 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -17.09 64.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.41 157.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 109' ' ' TYR . 2.0 mt -75.73 134.68 40.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.754 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -153.32 -168.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.39 -167.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.83 -24.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -51.94 -45.18 64.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -55.19 -34.89 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.4 m -65.16 -49.08 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.28 -35.42 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.176 HG23 ' CE2' ' A' ' 109' ' ' TYR . 0.7 OUTLIER -78.46 -39.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -57.33 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.63 -53.44 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 111' ' ' ILE . 13.2 t80 -55.35 -51.85 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.7 -56.42 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LEU . 38.9 mt -39.91 -49.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.24 42.92 1.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.3 p -66.19 115.51 24.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.614 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -75.03 -17.1 19.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -164.49 -40.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 160' ' ' LEU . 5.7 p -51.12 106.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.54 106.09 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.0 p -57.65 -48.33 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -53.35 -20.03 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.41 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 1.054 HD11 HG22 ' A' ' 155' ' ' VAL . 3.2 mt -56.26 172.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.622 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 7.5 p -146.79 157.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 163' ' ' SER . 13.9 m-85 -117.72 162.37 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 162' ' ' TYR . 43.4 p -41.82 164.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.3 OUTLIER 162.82 94.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 21.1 p90 -119.04 -47.78 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.6 OUTLIER 68.93 152.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.008 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -34.47 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.78 -28.39 48.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -81.28 -55.75 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -39.57 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -65.62 111.5 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 23.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 9.5 t80 -116.42 141.83 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 3.6 m80 -137.61 162.7 33.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.593 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.39 145.88 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.78 -135.9 12.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.54 175.75 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -42.78 139.3 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.03 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.5 mt-10 -73.68 122.23 22.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.4 m -154.38 113.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' HD23 ' A' ' 102' ' ' LEU . 9.7 tttp -75.01 113.06 21.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 167.17 27.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HG12 ' A' ' 101' ' ' VAL . 14.3 m -55.53 122.9 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.713 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -66.24 -29.11 69.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -155.99 89.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -67.23 157.16 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -158.18 120.96 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' HG11 ' A' ' 54' ' ' VAL . 1.6 m95 -87.07 6.34 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 3.3 m -46.88 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -88.16 -61.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.625 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -56.04 96.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.554 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.97 -156.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.601 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 64.61 -138.96 40.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -99.53 132.92 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 0.727 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.947 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 13.8 m95 -137.03 151.76 49.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.017 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -125.2 128.74 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.97 158.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -118.3 -83.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -134.21 116.45 15.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 15.2 pttt -143.4 143.56 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.073 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 92.3 m-85 -35.73 139.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.99 -170.69 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -126.99 176.85 2.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.96 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.78 27.57 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.62 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 113.05 25.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 21.0 m-85 -157.02 170.88 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.76 121.42 0.87 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -124.84 57.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 0.724 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -159.45 62.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 60' ' ' ASP . . . -150.76 178.1 28.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.3 p90 -123.46 119.26 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -132.63 121.04 22.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 6.9 mt-10 -123.19 157.78 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.27 130.6 55.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.9 m -121.92 109.18 34.05 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.9 19.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.96 120.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 53' ' ' SER . . . 68.95 45.9 61.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 3.4 mttp 74.88 -41.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -81.88 162.94 22.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 73' ' ' ALA . 4.2 m -131.81 113.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 149.29 48.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 41.4 m -121.67 117.54 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 2.9 ttt85 -112.55 139.71 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -152.95 118.84 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.983 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 2.0 p30 -155.78 -175.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.1 m -114.82 98.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.91 HD12 ' CG ' ' A' ' 67' ' ' TYR . 15.4 mt -80.66 124.15 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 6.4 m170 38.75 73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 67.04 0.56 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.66 123.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.76 114.9 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.91 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -120.77 161.98 20.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 90.9 t80 -165.37 124.2 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 ttp -139.68 107.93 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.13 170.06 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.11 160.57 19.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.7 t -115.86 146.55 41.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.684 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -97.29 112.61 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 37.4 t80 -127.1 148.29 65.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.57 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 130.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.65 -51.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -127.11 -122.35 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.71 116.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.7 m -55.28 -52.99 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -48.79 -61.16 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.713 HD13 ' HA ' ' A' ' 15' ' ' ASP . 24.3 mm -57.89 165.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 81' ' ' ILE . . . -65.12 -105.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.83 61.22 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.47 108.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.85 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.14 134.14 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' THR . 0.2 OUTLIER -105.92 125.98 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 129.53 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.703 ' HD3' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -129.73 104.38 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.624 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.6 p -89.92 145.59 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.703 HG23 ' HD3' ' A' ' 88' ' ' ARG . 4.9 t -141.14 100.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.45 -91.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -121.42 34.79 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -144.19 101.21 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.624 ' OG1' HG22 ' A' ' 89' ' ' THR . 38.3 m -107.94 129.56 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -135.88 142.6 44.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' ' CZ ' ' A' ' 85' ' ' TYR . 19.4 mtpt -95.84 113.16 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 23.3 m -93.34 140.94 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.5 t -105.02 109.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.886 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 9.5 t80 -113.2 110.05 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -96.75 107.95 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.886 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 63.3 t -74.0 104.32 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.719 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.8 mt -37.37 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.405 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -154.03 87.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.683 HG21 ' HE1' ' A' ' 17' ' ' PHE . 14.2 t -73.49 141.05 46.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.08 -14.55 46.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.649 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.7 OUTLIER 49.98 70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.43 -74.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.17 -40.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.827 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -110.19 160.23 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.947 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -128.59 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.827 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.0 tp -121.03 114.09 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.758 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -143.46 139.88 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.445 ' CD1' HG11 ' A' ' 11' ' ' VAL . 16.7 t80 -124.18 134.47 53.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 128' ' ' VAL . 3.9 t -142.95 158.97 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 124.48 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -97.13 136.8 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 5.0 t80 -84.76 140.34 31.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.78 111.0 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -74.86 -56.17 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -52.96 58.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -17.94 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.68 91.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 133.68 -141.13 12.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -155.81 172.47 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 65.0 m95 -129.68 160.18 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.455 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 15.9 t0 -105.9 105.84 16.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -110.82 94.95 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 112' ' ' GLY . 48.7 t -113.79 149.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.476 ' HD1' HD21 ' A' ' 131' ' ' LEU . 15.0 p90 -138.96 117.75 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.843 ' C ' HD23 ' A' ' 131' ' ' LEU . 97.5 t -97.53 130.85 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -105.26 160.74 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' HD13 ' A' ' 137' ' ' LEU . 4.2 t -149.8 144.76 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -48.25 -27.01 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -172.14 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 49.6 mtt -68.34 -18.05 64.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.99 136.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.653 HD23 HG11 ' A' ' 145' ' ' VAL . 7.3 tp -72.97 138.32 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.2 p -152.84 -169.91 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.24 -157.08 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -56.27 -22.05 27.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.773 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.24 -45.15 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -59.85 -27.56 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 6.9 m -74.75 -49.86 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.774 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -37.04 65.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -72.06 -57.45 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.59 -51.52 47.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.719 ' HE1' HD13 ' A' ' 102' ' ' LEU . 22.7 t80 -54.59 -49.67 69.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 145' ' ' VAL . 11.5 mt -55.79 -37.9 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 146' ' ' GLU . 81.8 mt -63.28 -49.64 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.54 27.23 21.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.745 ' HB2' HG12 ' A' ' 155' ' ' VAL . 81.2 p -78.11 139.99 61.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.706 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.98 -14.41 21.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.01 -100.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.853 HG22 HD11 ' A' ' 160' ' ' LEU . 8.4 p 29.58 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -75.1 101.19 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.1 p -58.69 -46.04 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -52.27 -41.11 62.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -76.37 -39.06 54.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.853 HD11 HG22 ' A' ' 155' ' ' VAL . 2.1 mt -46.0 166.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 58.4 t -149.65 120.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.5 m-85 -70.67 161.12 31.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' VAL . 82.7 p -39.09 158.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 174.68 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 45.8 p90 -102.64 -46.25 4.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 67.58 150.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -34.51 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.08 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -68.09 -56.73 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -53.36 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -47.82 122.84 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.534 HG21 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 7.8 t80 -110.89 158.47 18.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 53.5 m80 -148.16 -178.35 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.55 17.12 7.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.82 -136.96 3.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.8 -171.64 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -52.07 132.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.01 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -82.25 118.66 23.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -146.93 114.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -75.83 113.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 172.74 15.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 101' ' ' VAL . 9.4 m -55.32 135.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.571 ' HA ' HD13 ' A' ' 81' ' ' ILE . 6.2 p-10 -67.65 -40.61 84.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -154.21 90.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 134.43 52.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.09 124.61 45.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.0 m95 -86.01 8.9 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -100.83 -48.06 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -57.46 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.21 -156.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 -144.3 45.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HZ1' ' HZ2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -91.96 135.64 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 110' ' ' ILE . 10.3 m95 -137.54 170.94 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -141.72 120.69 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mt-10 -48.6 156.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.962 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -117.59 -70.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 162' ' ' TYR . . . -153.11 129.55 10.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.582 ' HE3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -153.35 170.62 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' CE2' HG21 ' A' ' 2' ' ' VAL . 2.6 m-30 -56.45 127.14 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -175.44 2.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -127.92 174.53 4.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.2 m-20 -91.93 19.87 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.23 91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -116.65 116.41 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 12.4 m-85 -169.14 170.17 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.0 109.26 0.4 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -109.37 83.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.6 p 159.03 48.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.88 177.46 18.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -118.39 124.16 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -142.11 138.78 31.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -138.61 160.65 39.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -115.7 121.16 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 94.5 m -111.35 130.79 22.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.17 17.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.09 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 69.11 85.01 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 83.76 -48.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -87.95 159.05 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 73' ' ' ALA . 32.9 m -133.83 116.38 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -71.32 147.63 47.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 66.9 t -137.73 129.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.4 p -125.96 118.38 25.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 137.41 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.09 120.45 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 111.001 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -175.03 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 170' ' ' CYS . 1.8 m -107.44 103.14 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.919 HD12 ' CG ' ' A' ' 67' ' ' TYR . 65.0 mt -86.94 129.81 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.8 m170 39.38 70.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 38.94 58.87 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -165.03 127.31 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.5 112.82 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.919 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -121.36 159.5 25.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 7.8 t80 -165.23 136.03 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.474 ' HE1' ' HD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -150.69 150.7 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 15.8 mt-10 -140.67 163.7 32.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.56 128.86 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 13.1 t -81.3 163.02 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.602 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -115.0 112.35 22.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 43.9 t80 -126.61 149.29 67.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.86 -51.07 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.11 -127.86 4.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.59 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.7 p -40.56 -48.94 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' ILE . 18.1 mttt -55.29 -72.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' ASP . 41.9 mm -40.32 161.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -62.48 -104.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 42.01 54.96 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.71 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.71 107.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.646 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -86.28 140.54 30.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER -104.89 115.7 30.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.4 104.75 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' CG ' ' HE1' ' A' ' 86' ' ' HIS . 5.1 ttp85 -100.16 120.41 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.886 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.7 p -92.21 149.22 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.1 92.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 39.73 58.03 2.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.73 -34.55 4.32 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.67 94.5 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.886 ' OG1' HG22 ' A' ' 89' ' ' THR . 4.1 m -95.88 134.49 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 138.3 54.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -95.6 100.47 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' HIS . 26.1 m -94.96 130.85 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.73 121.6 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.715 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 89.8 t80 -123.89 109.49 13.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.41 124.92 33.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 14' ' ' VAL . 55.4 t -92.3 96.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.5 mt -32.59 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.06 112.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.429 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.8 t -104.73 150.19 24.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -80.19 -3.0 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' ASP . 1.8 p-10 38.94 49.73 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -66.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -132.56 -45.27 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.911 ' HB2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -99.88 160.95 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.89 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -143.97 137.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -120.53 169.69 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.41 40.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.482 ' HA ' ' CG1' ' A' ' 128' ' ' VAL . 9.6 t80 -155.59 118.26 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 p -142.99 152.01 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 1.7 p -155.99 146.79 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -116.75 140.99 48.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -70.08 105.72 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.58 100.57 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 55.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 16.94 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 80.49 87.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.11 -131.98 3.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 2.6 p-80 -163.2 179.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 3.5 m95 -141.38 137.57 32.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.027 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.53 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 34.2 t70 -98.48 149.35 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 96.4 m-70 -159.45 102.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.8 OUTLIER -104.16 -176.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.715 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.8 p90 -151.94 141.29 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.031 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -117.71 133.25 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.031 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -118.78 146.55 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 29.7 t -149.95 157.82 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.53 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.64 174.0 11.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 ptp -64.11 -19.85 65.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.962 ' HG ' HG11 ' A' ' 29' ' ' VAL . 1.6 mt -72.19 144.26 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.791 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.5 p -154.53 -172.18 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 34.65 -151.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.69 -25.62 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.29 -41.52 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.1 m -62.38 -48.33 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -45.27 74.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 137' ' ' LEU . 0.5 OUTLIER -72.0 -42.15 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.6 -57.58 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.51 -53.68 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 1.055 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 10.9 t80 -56.22 -50.67 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 157' ' ' SER . 44.0 mt -55.6 -57.43 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 88.2 mt -39.69 -49.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.83 41.03 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -68.8 113.18 14.33 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.745 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -17.9 19.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 153' ' ' PRO . 5.2 m -161.45 -41.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 1.055 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 2.3 p -53.06 94.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -77.87 112.34 14.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.8 p -67.48 -45.09 76.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -52.5 -34.12 48.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -83.48 -39.98 19.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.791 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.2 mt -46.61 171.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 7.9 t -145.36 145.48 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.63 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 2.1 m-85 -100.91 162.55 12.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 162' ' ' TYR . 13.9 m -36.28 153.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 162.77 87.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.5 p90 -114.5 -49.26 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 79.85 141.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -34.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.37 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -60.96 -58.01 10.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.601 ' O ' HG23 ' A' ' 172' ' ' VAL . 7.0 m -61.66 -51.29 69.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.89 113.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 170' ' ' CYS . 85.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 126' ' ' ASP . 27.6 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -110.38 148.44 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.493 ' O ' ' CE ' ' A' ' 121' ' ' LYS . 4.0 m80 -148.25 163.67 36.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.633 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.6 17.69 19.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.52 -134.26 4.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.619 ' C ' ' CE1' ' A' ' 124' ' ' HIS . . . -136.5 152.78 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.63 ' N ' ' CE1' ' A' ' 124' ' ' HIS . 0.0 OUTLIER -34.52 137.94 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -86.16 147.43 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 ' CE1' ' A' ' 113' ' ' TYR . 3.7 m -162.56 110.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -68.15 111.06 6.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.05 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.801 HG13 HG12 ' A' ' 101' ' ' VAL . 4.8 m -56.56 135.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -66.04 -41.41 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -156.25 94.79 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.775 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.98 129.59 40.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.12 116.07 24.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.472 ' CE3' HG21 ' A' ' 54' ' ' VAL . 11.7 m95 -71.35 -11.81 61.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.9 m -48.75 -46.73 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 106' ' ' ASN . 2.0 pm0 -120.41 61.68 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.744 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 175.38 84.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.38 -168.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -140.02 27.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -86.24 121.31 28.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 14.6 m95 -136.48 122.71 20.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 10.0 m0 -104.17 135.45 45.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -55.97 154.45 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.887 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -111.78 -82.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -136.39 118.51 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.704 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -135.56 170.01 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 13.2 m-85 -60.19 138.45 91.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -73.53 177.96 1.78 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.0 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -94.92 20.93 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.78 75.7 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.3 124.19 49.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 62' ' ' ILE . 15.4 m-85 -154.37 177.01 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.45 120.74 0.53 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 163' ' ' SER . 0.1 OUTLIER -95.29 -138.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.0 m 45.39 52.07 9.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -117.49 177.63 16.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -153.89 118.43 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.06 165.74 21.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.75 159.79 39.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.88 ' CD2' HG22 ' A' ' 56' ' ' VAL . 4.6 m-85 -121.75 134.59 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -110.43 109.59 58.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.37 5.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.52 54.31 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.57 -171.44 13.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -46.78 -31.27 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -94.38 155.41 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CE3' ' A' ' 19' ' ' TRP . 7.8 m -130.77 117.41 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -63.43 148.93 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.88 HG22 ' CD2' ' A' ' 47' ' ' TYR . 59.4 t -136.03 134.15 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.54 118.32 19.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 135.32 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.21 120.32 5.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 p30 -159.79 -174.51 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.597 HG11 HG22 ' A' ' 172' ' ' VAL . 48.6 t -109.5 138.1 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.867 HD12 ' CG ' ' A' ' 67' ' ' TYR . 33.1 mt -126.97 117.28 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLY . 6.7 m170 40.28 78.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 54.42 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.4 113.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.14 120.09 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.867 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -116.44 159.71 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 27.9 t80 -165.72 138.46 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.83 141.17 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 174.84 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.23 179.58 39.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -134.87 138.39 44.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -94.68 122.25 37.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 27.2 t80 -133.96 148.22 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.616 HG23 ' HD2' ' A' ' 85' ' ' TYR . 1.1 t -61.02 -50.24 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.43 -124.96 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 111.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -45.15 -47.59 12.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ILE . 4.1 mptt -56.34 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.63 156.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.51 -108.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.17 56.01 7.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.73 107.62 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.616 ' HD2' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -90.56 141.05 29.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -107.51 134.06 51.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -86.75 104.72 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.963 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 114.74 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.954 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -93.49 144.68 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.08 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' GLY . 35.0 t -141.11 94.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.68 -80.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -138.26 33.4 2.24 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -141.47 96.38 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.954 ' OG1' HG22 ' A' ' 89' ' ' THR . 53.9 m -93.96 128.39 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -131.91 135.35 46.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.9 mptt -95.02 106.96 18.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 86' ' ' HIS . 15.2 t -92.92 137.75 32.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.3 t -87.03 125.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 22.5 t80 -124.61 108.99 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.97 102.9 15.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.801 HG12 HG13 ' A' ' 14' ' ' VAL . 24.2 t -72.85 101.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' VAL . 3.7 mt -38.07 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.41 111.72 3.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.515 HG21 ' CE1' ' A' ' 17' ' ' PHE . 11.8 t -106.7 136.07 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 4.2 t0 -74.17 -4.23 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 21' ' ' GLN . 3.1 p30 41.61 73.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -78.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.799 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -124.36 -38.43 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.558 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -105.26 154.2 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.792 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -142.47 141.01 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.682 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -122.9 136.39 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -131.53 171.31 21.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.953 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -161.54 133.45 5.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.43 -176.52 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.2 p -156.87 162.89 39.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -139.73 109.41 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.99 131.35 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.15 98.91 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.98 -13.54 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.72 -52.02 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -99.48 -7.02 26.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 88.5 -50.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -60.01 -139.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.63 ' CE1' ' N ' ' A' ' 8' ' ' CYS . 9.4 p-80 -164.13 178.25 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.9 m95 -131.94 159.79 37.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' A' ' 2' ' ' VAL . 14.8 t70 -119.18 140.98 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.19 134.25 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -135.29 179.38 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.753 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 p90 -142.84 128.29 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.949 ' C ' HD23 ' A' ' 131' ' ' LEU . 84.8 t -101.85 135.73 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.949 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -111.06 156.54 21.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.534 ' HB3' HD13 ' A' ' 137' ' ' LEU . 6.4 p -146.4 145.59 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -50.07 -54.32 21.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.5 m -105.52 -165.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.504 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.72 -21.27 60.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.404 HG12 HG22 ' A' ' 138' ' ' THR . 2.1 t -131.45 150.06 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 HG11 ' A' ' 145' ' ' VAL . 2.7 tp -75.81 131.16 39.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.75 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -150.55 -169.66 3.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 141' ' ' ALA . . . 42.92 -166.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -47.09 -23.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -54.78 -35.53 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.409 ' O ' HG12 ' A' ' 145' ' ' VAL . 10.7 mtpt -68.89 -25.57 64.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.2 m -75.98 -52.59 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.17 -40.31 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.606 HG11 HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.34 -37.3 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -56.34 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.85 -49.71 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.941 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 20.5 t80 -56.18 -52.91 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.5 mt -55.14 -56.99 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -40.69 -47.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.38 39.53 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.571 ' HB2' HG13 ' A' ' 155' ' ' VAL . 6.0 p -71.72 123.09 88.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.686 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.3 Cg_endo -75.07 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.443 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -114.12 -34.43 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 1.8 p -54.92 92.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.537 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.8 115.89 14.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 160' ' ' LEU . 7.4 p -74.37 -48.43 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -52.9 -19.82 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -99.07 -38.65 8.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 157' ' ' SER . 3.5 mt -45.55 170.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 65.3 t -144.37 119.77 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -76.5 162.47 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 86.1 p -40.56 162.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 m-20 156.83 100.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 166' ' ' SER . 24.1 p90 -108.98 -52.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.488 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 74.02 149.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -45.2 -35.52 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.54 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -82.62 -56.89 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -57.56 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.5 OUTLIER -66.93 119.05 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.597 HG22 HG11 ' A' ' 61' ' ' VAL . 12.9 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CE3' ' A' ' 125' ' ' TRP . 4.3 t80 -105.34 139.71 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -138.3 158.93 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -104.3 143.55 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 91.59 -140.08 15.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.29 -168.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 155.69 61.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 11' ' ' VAL . 10.1 mt-10 -82.17 124.68 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.6 m -161.52 112.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -76.19 113.0 24.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.06 166.16 29.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.678 HG21 ' CD2' ' A' ' 17' ' ' PHE . 11.6 m -48.62 126.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.9 p-10 -64.76 -37.11 86.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -156.85 87.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.739 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.74 154.08 41.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -121.68 120.6 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.434 ' CH2' HG21 ' A' ' 84' ' ' ILE . 33.4 m95 -69.42 -27.98 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -57.43 -67.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -56.04 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -44.96 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -170.49 -174.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.41 -133.61 12.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 5.8 mtmt -94.91 141.83 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.794 ' CE3' HD12 ' A' ' 110' ' ' ILE . 39.3 m95 -151.68 116.28 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 135' ' ' MET . 0.1 OUTLIER -97.8 141.27 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 33.9 mt-10 -64.29 156.19 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.934 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -121.51 -85.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -120.75 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -142.24 149.96 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -49.25 132.78 16.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.47 169.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.69 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.75 1.93 24.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 78.4 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 17.6 mttm -130.03 136.33 49.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 18.7 m-85 -166.13 173.44 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.66 119.72 0.71 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 19.6 ttpt -107.67 69.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 41' ' ' LYS . 52.8 m -160.36 49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.06 177.22 30.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -132.32 158.36 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -146.96 100.83 3.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.25 156.4 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.6 m-85 -118.78 129.97 55.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.7 m -119.22 109.31 39.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 129.76 12.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.5 124.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 78.48 34.19 36.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER 82.06 -44.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.06 168.77 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 73' ' ' ALA . 14.9 m -125.7 112.0 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 149.25 49.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 47' ' ' TYR . 41.6 t -138.57 128.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.5 m -120.89 117.74 28.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -109.72 138.31 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -153.44 119.65 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -155.09 -174.81 5.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.5 p -124.72 98.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' CB ' ' A' ' 67' ' ' TYR . 4.1 mt -81.96 124.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER 39.14 75.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.81 51.78 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.23 118.69 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.0 118.31 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CB ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -121.72 163.2 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -165.03 141.96 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 122.04 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.17 168.58 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 178.1 159.98 23.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -122.68 137.43 54.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.372 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -90.88 125.18 35.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.621 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 58.8 t80 -142.25 148.68 48.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.621 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 133.78 17.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -81.01 -49.31 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.43 -131.42 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.1 m-20 -44.6 107.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 1.8 m -38.96 -60.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -66.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 15' ' ' ASP . 3.5 mm -49.31 159.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.07 -110.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.34 57.43 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -105.19 112.56 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -92.29 141.12 28.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -112.7 127.28 56.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 118.14 21.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.96 107.6 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.65 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.4 p -86.11 149.13 25.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' GLY . 84.5 t -149.76 94.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.7 -89.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -125.88 35.65 2.95 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -145.42 93.07 2.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 0.788 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.65 ' CG2' HG22 ' A' ' 89' ' ' THR . 74.4 m -110.9 126.44 54.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 146.45 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.92 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 89.1 m -97.97 129.21 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.459 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 85' ' ' TYR . 5.9 p -91.23 125.47 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 84.1 t80 -119.64 111.48 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -85.03 115.34 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 17' ' ' PHE . 53.9 t -89.04 105.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 HG12 ' A' ' 11' ' ' VAL . 10.1 mt -39.5 -90.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.35 66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.774 HG23 HD22 ' A' ' 106' ' ' ASN . 0.0 OUTLIER -50.3 160.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.1 -18.94 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.774 HD22 HG23 ' A' ' 104' ' ' THR . 0.5 OUTLIER 53.49 42.54 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -45.41 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.871 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -154.04 -45.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.81 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -106.69 153.32 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.794 HD12 ' CE3' ' A' ' 26' ' ' TRP . 1.1 mt -122.74 122.42 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.81 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.7 tp -103.84 116.57 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -135.37 -179.79 16.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.574 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 11.4 t80 -167.39 122.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 15.7 p -144.86 149.53 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 12.2 p -154.42 131.65 11.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.2 137.4 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 37.7 t80 -71.82 131.94 43.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -143.96 99.55 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.13 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -61.97 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -113.47 -48.12 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 169.43 82.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.67 -138.74 7.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.2 p80 -156.29 177.45 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.415 ' CE3' ' CD1' ' A' ' 3' ' ' TYR . 9.6 m95 -121.34 163.01 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.023 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.65 141.32 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -152.64 102.97 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.61 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 129' ' ' TRP . 11.9 p -107.62 164.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.77 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 7.2 p90 -133.63 119.28 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.942 ' C ' HD23 ' A' ' 131' ' ' LEU . 95.9 t -93.96 132.57 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.942 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -110.79 158.37 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.566 ' OG ' HG13 ' A' ' 29' ' ' VAL . 15.6 p -149.98 129.86 13.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -35.84 -55.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -101.6 -178.43 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.511 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 7.3 ptt? -62.07 -23.37 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.86 150.9 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.599 ' HB2' HG11 ' A' ' 29' ' ' VAL . 5.8 tp -74.71 136.37 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.9 p -151.81 -166.37 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.66 -156.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.17 -20.52 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.871 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -53.88 -47.29 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -57.81 -34.47 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.0 m -70.18 -46.54 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.777 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.7 -38.24 69.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.88 -34.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.15 -57.93 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -49.6 -54.13 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 111' ' ' ILE . 21.1 t80 -55.87 -49.65 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.0 mt -56.73 -44.62 81.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.55 -49.33 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.36 35.9 4.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.51 ' HB2' ' CG1' ' A' ' 155' ' ' VAL . 23.6 p -78.09 139.99 61.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.744 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.06 -14.25 21.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.28 -105.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.715 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.8 p 24.06 88.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.58 105.41 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.938 ' HA ' HD12 ' A' ' 160' ' ' LEU . 14.2 p -61.63 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -52.42 -21.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -44.19 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.0 mt -50.99 176.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.592 HG21 ' HG3' ' A' ' 33' ' ' PRO . 90.6 t -149.78 118.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -68.03 161.13 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 59.0 m -39.25 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.93 98.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 24.9 p90 -121.31 -47.77 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 73.06 148.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -33.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.56 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.15 -56.79 15.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.452 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -57.3 -49.62 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.67 123.21 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 170' ' ' CYS . 18.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' A' ' 4' ' ' HIS . 9.7 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.597 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 55.7 t80 -97.31 147.14 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 1.1 m-70 -150.12 169.42 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.35 146.37 28.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.2 -132.16 11.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.92 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -43.99 140.08 2.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.26 117.46 17.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 102' ' ' LEU . 2.3 m -150.88 111.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -75.47 112.52 19.46 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.94 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.776 HG13 HG12 ' A' ' 101' ' ' VAL . 16.6 m -55.56 134.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 81' ' ' ILE . 9.4 p-10 -66.41 -43.66 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -150.89 92.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.669 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -67.61 135.97 53.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.9 117.9 31.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 54' ' ' VAL . 71.2 m95 -73.26 -22.33 60.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 107.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -47.45 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 3.0 pm0 -71.25 -95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.579 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -36.1 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -173.92 -172.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.64 -147.98 33.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 126.17 37.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.6 m95 -127.41 143.72 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 42' ' ' CYS . 11.2 m0 -117.82 134.62 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.74 152.01 43.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.035 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -123.63 -89.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -103.11 82.05 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 166.93 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 5.1 m-85 -76.2 152.8 84.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.651 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 2.99 5.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER 80.62 171.76 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLY . 35.2 t30 -90.4 24.27 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.49 46.55 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 30.1 ttpt -129.74 123.61 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.651 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 37.9 p90 178.88 179.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.62 171.22 38.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -118.7 -148.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER 39.86 57.48 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.28 175.5 15.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.9 p90 -138.75 120.24 14.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . -142.06 127.38 18.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -116.76 161.16 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.12 126.76 49.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m -118.43 110.15 39.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 134.57 17.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.27 113.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 88.47 27.44 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 88.8 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.48 179.68 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.507 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.1 m -139.2 119.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.39 148.88 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.59 129.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 4.5 p -131.58 120.37 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -120.72 135.8 55.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -153.56 120.49 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -159.23 -174.8 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.764 HG12 ' OE2' ' A' ' 66' ' ' GLU . 3.5 m -115.71 122.36 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.09 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -80.58 151.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' ILE . 28.4 m80 -35.89 87.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 71.24 53.88 9.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -173.96 169.5 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.764 ' OE2' HG12 ' A' ' 61' ' ' VAL . 1.1 mm-40 -130.13 112.87 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.09 ' CD1' HD12 ' A' ' 62' ' ' ILE . 17.0 p90 -129.1 152.09 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -160.61 108.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.77 140.32 49.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -127.83 164.92 21.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 87' ' ' SER . . . 179.61 -140.44 4.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 5.1 t -158.88 156.11 28.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -107.2 118.22 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.8 t80 -130.29 148.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.04 122.08 6.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.816 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -66.75 -50.56 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -117.2 -131.4 4.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.85 124.16 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 p -51.52 -47.72 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -55.23 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -40.39 161.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.96 -104.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.99 61.52 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -106.79 107.18 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.816 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -80.77 135.21 35.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.5 m80 -106.39 124.54 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.58 143.64 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.33 104.3 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.623 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.6 p -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.3 p -148.2 133.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.53 -101.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.27 35.95 3.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 140.04 32.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.623 ' OG1' HG22 ' A' ' 89' ' ' THR . 6.7 m -127.1 126.0 42.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -126.52 138.25 53.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.62 120.5 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 86' ' ' HIS . 2.0 m -102.93 138.23 40.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 76' ' ' VAL . 64.8 t -99.18 128.45 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.795 ' CE2' ' CZ2' ' A' ' 129' ' ' TRP . 37.7 t80 -129.6 109.73 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -91.29 102.57 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 14' ' ' VAL . 10.0 t -73.08 102.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 11' ' ' VAL . 6.4 mt -37.25 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.58 101.78 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.6 t -94.78 152.93 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.44 -12.17 46.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER 49.24 47.45 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.03 -67.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -130.24 -43.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 1.025 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -108.59 159.6 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.613 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -135.68 136.99 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.553 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -117.5 127.11 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 1.002 ' O ' HG23 ' A' ' 128' ' ' VAL . . . -149.45 116.11 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.485 ' CZ ' ' CG ' ' A' ' 126' ' ' ASP . 20.8 t80 -100.33 124.15 45.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.586 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -127.59 160.82 30.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -156.54 130.76 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -102.3 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 3.8 t80 -93.73 127.59 39.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -104.36 125.02 50.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -55.37 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.32 -59.18 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 117' ' ' TYR . 0.0 OUTLIER 77.51 -56.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.36 -154.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.107 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -143.25 178.14 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 17.4 m95 -143.63 130.88 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -95.55 152.65 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 47.7 m80 -164.61 96.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 112' ' ' GLY . 7.2 p -97.36 146.01 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.795 ' CZ2' ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -122.29 147.47 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -120.44 124.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 129' ' ' TRP . 9.5 mt -103.92 157.15 17.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.509 ' OG ' HG13 ' A' ' 29' ' ' VAL . 36.9 p -149.99 129.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -38.3 -51.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -106.54 176.47 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -24.84 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.436 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 1.4 t -152.17 128.23 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.15 144.52 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.471 ' HA ' ' CD ' ' A' ' 142' ' ' LYS . 9.6 p -144.41 171.68 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.06 -140.21 39.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -54.58 -30.24 53.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -60.58 -39.01 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 138' ' ' THR . 1.2 mtpm? -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 9.0 m -68.19 -32.71 73.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.434 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 1.025 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.0 -45.78 75.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.02 -44.03 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 2.5 mm-40 -58.16 -57.58 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -49.68 -51.11 40.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.851 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 5.0 t80 -54.25 -55.4 28.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.38 -42.72 82.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mt -51.98 -43.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.42 32.05 5.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 148' ' ' TYR . 10.3 p -78.59 146.26 69.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.805 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.0 -17.85 19.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -165.95 -101.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.853 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p 26.8 87.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 1.8 p30 -80.66 99.65 8.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.92 ' HA ' HD12 ' A' ' 160' ' ' LEU . 1.4 p -48.3 -37.73 17.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -54.61 -18.76 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -96.62 -45.85 6.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.2 mt -48.5 177.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 73.1 t -150.32 119.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 163' ' ' SER . 1.3 m-85 -75.11 156.5 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 162' ' ' TYR . 74.5 m -36.87 117.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -170.09 49.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 166' ' ' SER . 42.3 p90 -63.64 -50.27 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.584 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.14 149.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.96 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.1 OUTLIER -45.81 -36.44 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.93 65.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -84.71 -56.79 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.554 ' O ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -64.47 -78.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.9 tttt -48.65 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.546 HG23 ' HA2' ' A' ' 64' ' ' GLY . 14.6 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' CE3' ' A' ' 125' ' ' TRP . 1.6 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -115.16 143.56 45.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -153.0 163.7 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.625 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -116.47 139.51 50.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.4 -136.39 20.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 179.86 5.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 m -45.36 152.71 0.62 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.602 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.848 ' O ' HG13 ' A' ' 11' ' ' VAL . 5.3 mt-10 -66.51 118.45 10.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.4 m -165.88 110.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -76.8 112.3 21.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -74.95 -178.6 4.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HG12 ' A' ' 101' ' ' VAL . 25.3 m -54.68 132.7 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -42.44 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -157.11 82.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.971 ' CZ ' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -66.37 150.01 49.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.24 135.97 54.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 54' ' ' VAL . 37.6 m95 -77.13 -25.71 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.026 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.51 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 3.8 m -58.96 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' NE2' ' CG ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -58.64 -101.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.813 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -48.01 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -177.16 -171.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.47 34.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 127.13 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.988 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.4 m95 -139.44 150.64 45.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.11 162.68 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.31 152.4 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.965 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -130.47 -96.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -91.67 81.29 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 146.16 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.659 ' CD1' HD23 ' A' ' 160' ' ' LEU . 2.7 m-85 -62.16 135.93 95.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -138.89 178.83 1.49 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.11 2.04 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.26 79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -124.52 117.36 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 81.5 m-85 -164.95 168.65 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.55 123.16 0.87 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -146.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.6 m 59.42 57.65 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -145.23 176.5 24.23 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -154.97 132.78 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -134.12 126.3 29.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 158.73 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD2' HG22 ' A' ' 56' ' ' VAL . 6.8 m-85 -112.45 125.96 54.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 m -101.94 109.92 60.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.97 120.62 6.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.99 49.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.64 -168.19 13.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.47 -29.62 10.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -98.77 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.047 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -133.0 118.76 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.8 149.4 46.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 47' ' ' TYR . 35.8 t -139.45 132.03 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -127.58 118.74 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.38 141.98 35.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -151.18 124.47 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.522 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -171.47 -175.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.64 123.48 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.073 HD12 ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -89.25 106.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER 34.51 44.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.609 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.43 34.56 9.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -139.88 100.86 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.47 111.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.073 ' CG ' HD12 ' A' ' 62' ' ' ILE . 32.0 p90 -128.12 147.98 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -151.91 113.73 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttm -120.3 123.51 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.8 165.23 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -178.07 -171.22 41.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.0 OUTLIER -142.75 143.51 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.379 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -102.33 128.44 48.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 36.0 t80 -145.73 149.55 40.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.23 -51.25 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -121.17 -126.51 3.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.56 115.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.3 p -46.43 -46.08 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.75 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.16 -104.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG2' ' CG1' ' A' ' 76' ' ' VAL . 2.1 tttt 45.2 55.3 6.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -104.82 106.95 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.2 p90 -86.76 141.79 28.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -113.54 125.34 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.556 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.79 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.91 106.31 10.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.518 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.5 p -84.96 149.41 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.3 t -150.29 96.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.11 -94.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.95 36.18 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.24 97.99 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.518 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.8 m -107.13 124.95 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -134.38 143.37 47.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.48 110.48 22.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.3 m -92.8 135.54 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.99 124.83 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.736 ' CE1' ' CE2' ' A' ' 129' ' ' TRP . 24.6 t80 -121.46 110.69 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.26 111.16 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 14' ' ' VAL . 54.5 t -81.21 95.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 11' ' ' VAL . 2.7 mt -36.24 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.426 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -152.92 95.82 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 8.8 t -90.82 144.03 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 18.2 m-20 -90.56 -8.93 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.456 ' CG ' ' NE2' ' A' ' 21' ' ' GLN . 1.8 p-10 41.86 32.76 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -48.82 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.671 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -150.05 -44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.974 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 p90 -108.7 148.82 29.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.988 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -118.69 123.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.607 HD13 ' CE2' ' A' ' 109' ' ' TYR . 1.2 tp -108.83 120.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.558 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -137.16 160.41 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.755 ' CD2' HG21 ' A' ' 11' ' ' VAL . 1.3 t80 -133.74 124.61 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 t -128.25 170.16 13.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 124' ' ' HIS . 4.7 m -156.37 134.56 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 5.6 ptm180 -107.38 113.02 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 2.3 t80 -65.27 125.34 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.456 ' OD2' ' NE1' ' A' ' 125' ' ' TRP . 19.3 p-10 -113.88 98.57 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -19.99 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.05 -59.82 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 5.57 48.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.1 mttt 77.93 -53.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.37 -137.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 115' ' ' CYS . 1.2 p-80 -157.67 172.61 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CE3' ' O ' ' A' ' 2' ' ' VAL . 84.4 m95 -120.77 163.47 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.453 ' CB ' ' HB ' ' A' ' 2' ' ' VAL . 64.0 t0 -93.16 137.22 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -175.17 98.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 129' ' ' TRP . 4.9 p -121.27 179.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.736 ' CE2' ' CE1' ' A' ' 99' ' ' PHE . 12.5 p90 -133.66 141.68 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.006 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.037 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -113.8 139.62 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.037 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.81 159.1 21.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 2.9 t -150.0 150.48 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.9 mtt180 -48.24 -51.78 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -103.43 -172.54 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.66 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.93 153.96 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.805 HD11 HG21 ' A' ' 145' ' ' VAL . 4.9 mt -73.34 139.91 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.671 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 8.0 p -152.95 -168.94 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 37.55 -158.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -24.95 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.671 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -51.92 -43.47 63.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -59.01 -37.83 77.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.1 m -75.85 -37.39 59.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.974 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.97 -46.25 75.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.805 HG21 HD11 ' A' ' 137' ' ' LEU . 2.1 t -70.52 -47.05 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -54.29 -57.03 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.45 -54.13 41.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 111' ' ' ILE . 8.1 t80 -55.78 -49.62 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 157' ' ' SER . 57.6 mt -55.82 -56.4 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 146' ' ' GLU . 93.7 mt -41.44 -49.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.83 36.21 3.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.583 ' CB ' HG13 ' A' ' 155' ' ' VAL . 23.7 p -75.23 123.37 88.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.23 5.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' ASP . 3.3 m -143.86 -43.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.77 92.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.5 OUTLIER -82.46 101.02 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.874 ' HA ' HD12 ' A' ' 160' ' ' LEU . 21.1 p -46.97 -42.7 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.57 -19.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -92.3 -47.47 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.6 mt -50.8 173.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.5 t -150.7 127.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.3 156.0 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' VAL . 11.3 p -42.17 163.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 p30 161.03 111.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 14.1 p90 -117.17 -52.96 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER 76.2 147.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -44.9 -36.94 3.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.54 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -83.39 -56.8 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -48.77 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -51.34 112.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 126' ' ' ASP . 31.1 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 26.1 t80 -106.76 148.32 28.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 12.6 m-70 -156.58 166.62 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -109.9 146.72 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.76 -134.04 12.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.82 -177.67 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -48.65 145.93 5.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.8 mt-10 -75.82 117.5 17.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.504 ' CB ' HD21 ' A' ' 102' ' ' LEU . 2.7 m -151.9 114.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -72.07 112.44 14.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.03 161.85 38.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 17' ' ' PHE . 15.7 m -48.01 123.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -32.35 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -154.99 83.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CD1' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -65.95 146.05 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.61 123.76 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.549 ' HH2' HG21 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -87.25 7.27 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -46.3 -37.22 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -69.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -44.84 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.89 -164.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.85 -147.95 47.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 134.9 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.0 m95 -139.11 132.31 29.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -101.77 131.57 47.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 108.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 pp20? -57.8 161.24 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.021 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.83 -86.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -118.59 112.92 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -137.21 147.7 46.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' N ' HD23 ' A' ' 160' ' ' LEU . 20.8 m-85 -38.61 160.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 5.65 3.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 68.52 166.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.5 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.52 8.38 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.02 44.17 50.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -125.8 -172.2 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 62' ' ' ILE . 46.0 m-85 -155.51 170.3 22.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.59 121.86 1.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.597 ' CB ' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -140.03 -169.18 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.69 23.29 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.42 175.8 23.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -141.64 123.04 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -121.06 104.2 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -98.91 159.04 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.772 ' CD2' HG22 ' A' ' 56' ' ' VAL . 34.4 m-85 -123.02 126.81 47.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 m -104.26 110.42 64.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 118.98 5.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.03 51.55 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.96 -171.09 13.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -30.86 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -92.79 161.93 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG21 ' CE3' ' A' ' 19' ' ' TRP . 30.4 m -135.5 120.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -66.28 148.74 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' CD2' ' A' ' 47' ' ' TYR . 49.0 t -137.41 124.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.45 118.19 28.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -112.74 135.04 53.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -153.38 120.23 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 p30 -156.14 -173.95 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.929 HG21 HG22 ' A' ' 172' ' ' VAL . 11.4 p -124.22 134.95 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.933 HD12 ' CD1' ' A' ' 67' ' ' TYR . 71.2 mt -127.87 113.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 38.42 78.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.89 49.83 5.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 108.54 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.15 112.33 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.933 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -88.41 160.35 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 5.2 t80 -165.76 146.73 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -173.82 123.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 36.5 mt-10 -128.1 165.64 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 156.06 130.38 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.3 t -73.05 165.91 24.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -118.56 114.13 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 47.1 t80 -132.78 148.18 68.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 135.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -79.83 -51.42 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -113.11 -131.71 5.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.51 114.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -41.96 -58.51 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -47.39 -61.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -50.95 157.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 14' ' ' VAL . . . -61.66 -107.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 44.05 54.08 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.549 HG21 ' HH2' ' A' ' 19' ' ' TRP . 1.1 mp -97.03 108.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.737 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -84.09 136.58 33.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.803 ' O ' HG22 ' A' ' 97' ' ' THR . 16.2 m80 -106.5 121.84 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -84.79 107.93 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 26.5 ptt180 -104.41 119.24 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.1 p -102.26 142.14 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 90' ' ' VAL . 12.3 t -140.94 90.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.78 -90.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -119.08 28.93 6.4 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t80 -141.71 93.53 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.744 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.604 ' CG2' HG22 ' A' ' 89' ' ' THR . 94.5 m -106.95 139.25 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -147.1 141.11 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.97 109.98 22.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 86' ' ' HIS . 14.9 t -92.88 149.29 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.7 t -103.26 130.78 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 114' ' ' SER . 42.1 t80 -133.16 110.51 10.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -97.46 108.98 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 14' ' ' VAL . 76.7 t -77.26 102.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.504 HD21 ' CB ' ' A' ' 11' ' ' VAL . 6.9 mt -34.57 -86.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -158.71 100.81 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.947 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.462 HG23 ' OD1' ' A' ' 106' ' ' ASN . 5.0 t -89.27 155.97 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -91.14 -33.4 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.462 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.2 m-80 65.24 39.54 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -55.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -140.64 -48.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.76 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -104.45 157.69 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.719 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -133.57 126.19 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.1 tp -103.42 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 128' ' ' VAL . . . 175.11 172.12 39.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 19.8 t80 -167.03 114.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 44.3 t -126.25 169.62 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' TRP . 0.5 OUTLIER -156.92 131.14 8.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 108.33 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -98.93 136.74 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 116' ' ' ARG . 4.6 t80 -73.47 141.81 46.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.36 117.21 24.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -59.89 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.47 -61.13 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -67.6 -19.29 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.24 -57.15 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.94 -153.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -140.68 177.05 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.8 m95 -140.29 137.24 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HB3' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -99.41 101.55 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -117.06 101.2 8.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 14.7 p -116.78 170.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.685 ' HD1' HD21 ' A' ' 131' ' ' LEU . 5.4 p90 -138.46 131.03 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.021 HG12 HG23 ' A' ' 29' ' ' VAL . 97.9 t -94.59 135.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.971 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -112.11 159.66 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.617 ' HB2' HD13 ' A' ' 137' ' ' LEU . 2.9 t -150.09 142.14 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 108' ' ' ASN . 24.7 ttp180 -48.28 -27.09 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 -178.9 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -30.66 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.23 145.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 132' ' ' SER . 6.9 tp -74.96 143.75 43.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.6 p -152.78 -165.94 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 35.92 -154.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.05 23.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.01 -47.43 68.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' A' ' 137' ' ' LEU . 6.1 mtmt -58.62 -39.45 80.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 96.1 m -67.77 -45.94 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.17 -43.56 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.596 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.44 -41.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.43 -58.01 9.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.53 -52.33 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.816 ' CE2' HD11 ' A' ' 111' ' ' ILE . 1.9 t80 -52.91 -53.85 43.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.39 -39.28 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.46 -41.28 80.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.01 -3.16 89.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 148' ' ' TYR . 18.7 m -75.48 135.94 71.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 152' ' ' SER . 18.3 Cg_endo -74.99 -23.23 14.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 155' ' ' VAL . 16.3 m -141.19 -123.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.562 ' CG2' HD11 ' A' ' 160' ' ' LEU . 3.1 p 35.78 84.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.23 104.11 11.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.915 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.1 p -56.11 -39.9 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -53.45 -22.51 7.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -45.79 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.915 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -48.79 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 56.1 t -147.43 129.53 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 163' ' ' SER . 3.9 m-85 -74.0 161.93 29.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 89.8 p -38.23 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.5 OUTLIER 161.44 92.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.672 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.2 p90 -120.68 -50.04 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 82.53 149.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -34.34 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.04 67.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -81.64 -57.7 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 24.1 t -48.47 -45.64 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 108.353 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -56.67 125.03 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.929 HG22 HG21 ' A' ' 61' ' ' VAL . 91.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -105.81 111.0 23.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 22.9 m-70 -99.98 165.45 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.44 144.58 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.26 -140.58 19.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.54 -173.7 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.36 137.21 3.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.8 111.98 16.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 113' ' ' TYR . 2.7 m -141.51 110.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.23 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -76.92 113.27 28.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.784 HG13 HG12 ' A' ' 101' ' ' VAL . 20.4 m -56.02 138.99 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.14 -41.06 90.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -160.61 90.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.769 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.52 132.69 48.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' HB2' ' NE2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -107.91 111.66 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.625 ' CE3' HG21 ' A' ' 54' ' ' VAL . 64.1 m95 -62.91 -20.37 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m -48.4 -65.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 2.9 pm0 -72.49 -99.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -36.7 101.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.48 -156.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.04 -130.91 42.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 136.1 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.7 m95 -138.98 149.88 45.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -122.52 145.87 47.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 mt-10 -74.64 147.0 41.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.907 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -117.93 -91.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -108.34 106.93 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.694 ' C ' HD23 ' A' ' 160' ' ' LEU . 2.5 ptpt -125.97 -172.92 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OD1' ' A' ' 156' ' ' ASP . 1.7 m-85 -90.12 144.46 31.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -75.01 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 50.8 173.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.11 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.27 -21.95 62.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 62.9 77.88 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.8 105.77 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CA ' HG12 ' A' ' 62' ' ' ILE . 38.9 p90 178.34 159.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.05 -177.62 20.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' NZ ' ' HG2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -140.77 45.26 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -144.32 59.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.04 177.29 25.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.8 p90 -137.81 118.45 14.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -113.74 120.58 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.95 161.03 15.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.42 134.49 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -124.75 111.36 27.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 125.84 9.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.2 52.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.87 -173.09 14.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -45.32 -31.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 162.08 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 ' CE3' ' A' ' 19' ' ' TRP . 13.3 m -132.81 115.55 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.88 148.83 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.97 140.03 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 67.9 m -131.51 117.97 19.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.677 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -153.48 119.73 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.63 -174.38 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 ' CG2' ' A' ' 172' ' ' VAL . 21.3 t -106.48 119.04 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 67' ' ' TYR . 5.3 mt -106.93 113.18 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 m170 44.89 72.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.53 70.67 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.74 119.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.6 119.02 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -126.75 160.23 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 11.0 t80 -165.98 115.24 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.96 115.8 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -109.06 167.15 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.51 128.6 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 14.9 t -71.26 163.58 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.414 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -114.31 115.41 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.6 t80 -130.16 148.66 70.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.94 126.17 9.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -72.35 -49.8 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.28 -131.23 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 6.4 m-20 -44.67 111.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.0 t -39.03 -48.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -55.99 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.03 150.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.1 -103.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 tptt 44.11 55.06 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -101.41 108.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.575 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -87.25 138.59 31.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -101.95 115.02 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 114.47 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.69 119.04 38.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 94' ' ' THR . 0.7 OUTLIER -111.49 135.4 52.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 91' ' ' GLY . 62.1 t -129.83 167.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.519 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -39.45 -39.92 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.38 27.47 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.441 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -139.47 98.02 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 89' ' ' THR . 25.9 m -117.02 130.31 56.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -152.82 142.36 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -96.57 111.4 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 20.4 m -93.12 142.08 27.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.5 t -104.71 128.35 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 53.1 t80 -126.51 110.11 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.89 102.72 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.784 HG12 HG13 ' A' ' 14' ' ' VAL . 48.5 t -74.18 96.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 101' ' ' VAL . 8.3 mt -36.88 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -155.04 105.93 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.724 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 2.6 t -97.89 151.92 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' ASN . 7.8 t0 -95.1 -4.81 45.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 2.3 p-10 38.72 45.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.7 -59.0 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.87 -46.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 1.014 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 2.1 p90 -111.34 152.44 27.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -123.01 125.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -106.6 129.99 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.632 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -159.52 120.06 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 154' ' ' VAL . 25.2 t80 -98.21 143.2 28.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.436 ' C ' ' SG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -144.76 166.59 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.062 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -157.37 158.21 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 122.44 27.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -79.87 133.82 36.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -119.4 126.28 51.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.83 -51.74 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -49.88 -57.48 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -20.04 61.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp 80.16 -54.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.53 -144.92 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p-80 -153.23 176.85 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.594 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -128.74 152.84 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.042 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.726 ' OD2' HG23 ' A' ' 128' ' ' VAL . 22.2 t0 -102.32 114.96 29.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -123.13 99.99 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.726 HG23 ' OD2' ' A' ' 126' ' ' ASP . 96.7 t -112.99 147.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.798 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.1 p90 -136.23 123.28 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.698 HG12 HG23 ' A' ' 29' ' ' VAL . 72.7 t -105.49 138.41 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.553 HD23 ' C ' ' A' ' 130' ' ' VAL . 9.8 mt -113.64 160.39 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TRP . 1.6 t -150.4 144.78 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.8 OUTLIER -43.2 -59.14 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 m -103.69 176.97 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -25.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 2.4 t -150.34 129.85 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.907 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.51 146.58 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.808 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -143.69 -178.81 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.43 -136.97 21.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -18.0 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -68.31 -37.05 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 147' ' ' ASN . 39.1 m -72.25 -38.9 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.1 -45.63 68.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.701 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.31 -52.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.37 -54.74 12.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -53.7 -49.54 67.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.574 ' O ' ' N ' ' A' ' 152' ' ' SER . 2.0 t80 -56.29 -52.42 64.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.951 ' CD2' HG11 ' A' ' 155' ' ' VAL . 43.0 mt -49.65 -35.33 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.1 -50.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -83.16 6.33 72.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 148' ' ' TYR . 24.9 p -76.63 139.67 67.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.422 ' C ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.96 -37.49 2.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.887 ' O ' HG23 ' A' ' 155' ' ' VAL . 2.2 m -151.64 110.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.951 HG11 ' CD2' ' A' ' 149' ' ' LEU . 2.9 t -166.23 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.528 ' OD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.81 94.65 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' ' 160' ' ' LEU . 26.0 p -62.3 -45.59 92.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -53.71 -27.14 26.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.48 -42.53 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.897 HD11 HG13 ' A' ' 155' ' ' VAL . 4.0 mt -45.0 168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 47.5 t -149.65 130.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.461 ' HE1' HD11 ' A' ' 137' ' ' LEU . 1.7 m-85 -82.88 161.02 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.6 m -38.76 127.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 165' ' ' PHE . 30.8 m-20 -172.25 43.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 10.5 p90 -37.66 -51.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 4.1 t 72.54 149.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 171' ' ' LYS . 5.4 mt-10 -45.14 -35.98 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.36 68.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -83.89 -57.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -78.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.4 tptt -52.95 119.64 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.58 ' CG2' HG11 ' A' ' 61' ' ' VAL . 68.8 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 126' ' ' ASP . 25.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 12.3 t80 -116.98 100.29 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.37 162.08 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.3 138.32 52.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.54 -135.05 12.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -97.41 167.9 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' ALA . 12.3 m -40.65 150.95 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.25 115.99 24.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -141.58 111.75 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -64.85 110.73 4.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 167.78 26.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 103' ' ' SER . 5.5 m -56.6 132.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -38.45 88.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -154.01 90.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.806 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.01 130.93 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.79 109.31 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -62.12 -30.59 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 107.987 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -48.96 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.863 ' HG3' HD21 ' A' ' 106' ' ' ASN . 1.6 pt20 -86.96 54.28 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.806 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 168.59 84.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.621 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.4 -160.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.61 -142.69 47.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.82 121.8 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.944 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 8.7 m95 -132.47 107.24 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -75.85 126.41 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.7 mt-10 -49.97 161.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.882 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.94 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -110.94 118.73 36.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -146.15 147.8 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 62.1 m-85 -52.53 141.16 34.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 2.01 7.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER 77.02 173.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -41.75 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -89.27 25.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 33.69 39.17 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -130.32 120.18 23.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 4.1 p90 -172.37 165.66 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.21 147.22 18.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -143.52 39.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -165.51 61.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.98 177.82 16.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 p90 -139.49 119.44 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.48 160.6 37.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.1 160.88 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' CG ' HG22 ' A' ' 56' ' ' VAL . 9.9 m-85 -118.75 119.87 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -100.81 110.61 61.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 118.28 5.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 54.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.78 -171.86 13.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -46.74 -31.61 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.16 161.52 13.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 29.5 m -132.39 116.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 3.4 mttt -65.46 149.42 50.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' CG ' ' A' ' 47' ' ' TYR . 77.9 t -142.35 139.01 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 m -131.01 119.41 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 5.0 ttp180 -107.85 138.17 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.2 119.23 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -176.32 -175.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 66' ' ' GLU . 33.0 m -111.0 132.23 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.999 HD12 ' CG ' ' A' ' 67' ' ' TYR . 58.7 mt -105.18 110.53 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 40.95 70.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 53.75 62.6 5.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -172.27 112.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 61' ' ' VAL . 22.8 mt-10 -61.13 113.8 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.999 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -114.47 164.17 14.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -164.62 125.44 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 138.58 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.7 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.71 167.05 25.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.8 t -111.72 155.72 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -107.27 112.47 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.4 t80 -125.35 148.55 61.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.559 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -58.14 -47.28 87.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 -133.03 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -46.38 115.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -42.78 -44.48 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.0 -72.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -46.23 150.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.4 -104.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 40.5 66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.654 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.15 112.56 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.708 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -89.05 137.61 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER -103.58 120.02 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.577 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.0 118.94 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -112.13 115.58 29.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.67 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -102.64 140.11 37.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 91' ' ' GLY . 10.6 t -151.71 170.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 90' ' ' VAL . . . -39.41 105.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 42.03 33.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -146.16 94.34 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.67 ' OG1' HG22 ' A' ' 89' ' ' THR . 2.4 m -123.46 124.68 43.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -139.91 146.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -95.58 113.79 25.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 86' ' ' HIS . 8.4 m -94.0 143.96 25.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.6 t -102.05 135.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 128' ' ' VAL . 42.8 t80 -131.36 111.3 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.07 108.77 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.583 HG21 ' HE2' ' A' ' 17' ' ' PHE . 51.5 t -90.69 98.8 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' VAL . 12.0 mt -38.07 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.597 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -165.28 85.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -49.23 165.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.623 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 7.8 t0 -84.4 -28.97 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.863 HD21 ' HG3' ' A' ' 21' ' ' GLN . 6.5 m120 62.45 63.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.596 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 13.0 m-20 -161.65 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 137' ' ' LEU . 1.7 t80 -102.39 146.67 27.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.944 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -117.08 131.22 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.78 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -104.99 153.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.689 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.52 177.71 46.57 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -160.74 123.47 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.01 172.21 8.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -145.38 129.86 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.4 112.2 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 4.3 t80 -63.82 108.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.67 98.73 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 52.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -115.94 -49.45 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 165.29 119.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.29 -146.03 18.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.601 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 26.5 p-80 -162.15 178.48 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 35.3 m95 -126.47 164.76 20.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 107.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -108.57 135.03 50.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -149.17 107.47 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.647 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.689 HG21 ' C ' ' A' ' 112' ' ' GLY . 10.1 p -118.56 149.42 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TRP . . . . . 0.764 ' HD1' HD21 ' A' ' 131' ' ' LEU . 7.8 p90 -106.25 123.15 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 107.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.053 ' C ' HD23 ' A' ' 131' ' ' LEU . 59.2 t -98.14 129.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.053 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -116.57 143.79 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.585 ' HB2' HG21 ' A' ' 29' ' ' VAL . 29.8 t -144.11 142.09 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -53.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.1 m -102.55 -178.34 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.85 1.96 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.534 HG12 ' CG2' ' A' ' 138' ' ' THR . 1.2 t -140.15 141.42 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.77 131.09 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.745 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.0 OUTLIER -152.57 -167.55 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.65 -168.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -46.97 -23.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -52.27 -40.18 61.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -62.71 -33.71 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.7 m -69.54 -41.28 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 105' ' ' ASP . . . -53.77 -40.26 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.775 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 2.5 t -74.51 -45.97 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 150' ' ' ILE . 0.5 OUTLIER -55.85 -57.85 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.67 -55.22 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.639 ' CD2' HD11 ' A' ' 111' ' ' ILE . 10.4 t80 -56.89 -49.2 76.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.76 -57.92 9.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 149' ' ' LEU . 85.5 mt -38.96 -49.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.34 43.39 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -65.79 114.45 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.407 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.5 Cg_endo -74.95 -28.57 9.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -152.21 -43.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -50.97 110.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 106.8 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 149' ' ' LEU . 34.8 p -59.51 -47.34 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -53.48 -19.13 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.69 -38.56 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 155' ' ' VAL . 3.6 mt -50.55 163.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 97.1 t -138.25 144.54 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.507 ' OH ' HG11 ' A' ' 145' ' ' VAL . 8.1 m-85 -102.2 161.28 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 93.7 p -37.12 105.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -159.04 82.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' A' ' 166' ' ' SER . 32.6 p90 -115.17 -46.93 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.81 147.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.2 OUTLIER -45.6 -34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.34 66.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -71.65 -57.29 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -55.25 -62.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 167' ' ' GLU . 22.7 tttt -39.43 126.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 64' ' ' GLY . 69.8 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 1.2 m -133.88 106.65 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -115.33 147.7 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 20.4 m80 -151.49 170.56 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.55 146.23 29.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.22 -140.29 22.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -112.68 -168.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 144.38 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -170.75 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.74 116.82 20.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.505 ' CB ' HD21 ' A' ' 102' ' ' LEU . 3.2 m -149.14 112.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 113.63 27.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.419 1.747 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' CG ' ' A' ' 17' ' ' PHE . 8.3 m -54.03 135.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.662 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.6 p-10 -65.77 -41.37 92.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -151.61 91.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.37 134.05 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.51 125.04 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.9 m95 -85.07 6.17 26.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.483 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 1.2 m -47.14 -62.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -99.47 -49.18 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.708 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.36 84.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.61 -168.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.64 -136.59 16.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.31 125.43 50.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.5 m95 -127.5 152.23 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -130.57 139.67 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.953 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.22 152.49 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.062 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.48 -88.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -105.12 89.89 3.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -123.23 131.28 53.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' LYS . 22.0 m-85 -31.92 136.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.03 4.12 5.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.49 171.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -26.04 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 75.27 82.15 0.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 1.8 pttt -129.41 115.02 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.658 ' N ' HG23 ' A' ' 62' ' ' ILE . 41.7 m-85 -162.38 168.24 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.82 102.96 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 37.9 tttm -91.55 72.57 5.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 t -163.03 46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.92 177.57 17.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -138.24 118.69 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -126.55 139.76 52.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.66 161.02 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CD2' HG22 ' A' ' 56' ' ' VAL . 16.3 m-85 -119.81 114.56 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.1 m -108.5 132.37 21.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.73 18.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 41.16 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 66.99 88.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 87.14 -47.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.18 157.13 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CE3' ' A' ' 19' ' ' TRP . 27.9 m -131.41 114.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -64.45 149.27 48.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 47' ' ' TYR . 54.5 t -142.45 124.54 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 73.6 m -122.21 118.82 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 2.0 ttp180 -110.99 136.21 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.35 120.21 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -158.33 -177.74 6.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.544 HG11 ' CG2' ' A' ' 172' ' ' VAL . 52.9 t -111.38 100.95 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.039 HD12 ' CG ' ' A' ' 67' ' ' TYR . 83.7 mt -83.88 117.04 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.4 m170 38.45 79.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.23 61.54 0.98 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.71 115.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG2' HG22 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.41 112.71 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.039 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -113.77 160.9 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -164.9 125.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.86 112.81 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.48 174.44 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 165.31 127.74 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.8 t -74.96 150.61 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -104.87 112.64 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.5 t80 -125.68 149.16 64.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 121.24 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -61.89 -52.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.56 -121.45 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 118.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -53.94 -43.66 70.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -56.23 -78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 15' ' ' ASP . 5.9 mm -43.02 157.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -57.39 -104.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.22 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -112.94 108.59 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.781 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -84.11 139.01 32.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.4 m-70 -104.62 119.97 40.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -116.47 110.41 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.657 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.1 p -90.34 148.94 22.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.442 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.87 133.47 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.5 -102.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.63 37.94 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.87 147.41 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.657 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.6 m -129.52 136.12 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -128.87 136.63 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -95.6 107.0 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' HIS . 40.4 m -92.61 133.92 35.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 115.33 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 101' ' ' VAL . 21.7 t80 -115.2 109.92 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -87.99 107.88 18.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 54.2 t -82.09 98.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 ' CB ' ' A' ' 11' ' ' VAL . 11.7 mt -37.49 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.48 122.44 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.536 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.7 t -105.75 156.21 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -96.76 -12.21 23.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.469 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 49.02 57.09 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -134.17 -77.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.555 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -140.58 14.32 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -154.36 155.42 35.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -143.48 133.99 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.742 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER -111.5 168.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 179.71 -172.15 43.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.561 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 5.6 t80 -168.28 130.85 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.25 23.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 122.29 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -94.16 142.4 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.459 ' CZ ' ' O ' ' A' ' 122' ' ' LYS . 48.0 t80 -87.21 138.34 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.81 117.24 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -16.17 60.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -87.76 -9.29 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 9.7 tptt 80.75 -58.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.67 -138.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-80 -156.21 172.66 18.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -126.48 164.27 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.443 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 9.6 t70 -107.03 147.44 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.8 106.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.0 p -138.09 167.07 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.75 ' HD1' HD21 ' A' ' 131' ' ' LEU . 1.8 p90 -148.94 148.83 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.062 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -109.78 135.54 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.002 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -112.12 154.08 25.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.542 ' HB3' HG13 ' A' ' 29' ' ' VAL . 10.8 t -150.13 112.12 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -36.24 -42.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 m -102.83 148.41 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.46 -21.01 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.609 HG12 ' CG2' ' A' ' 138' ' ' THR . 14.3 t -129.04 133.23 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.685 HD11 ' HB1' ' A' ' 141' ' ' ALA . 4.2 tp -75.67 121.2 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.776 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.4 p -148.9 -177.58 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 57.24 -164.82 6.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.21 -23.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -55.55 -44.47 76.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.95 -39.12 73.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.9 m -63.41 -48.29 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.98 -43.91 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.682 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -73.0 -31.99 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.91 -56.29 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -50.99 -52.48 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 1.114 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 26.8 t80 -54.37 -53.99 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.787 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.2 mt -56.0 -57.13 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 96.9 mt -40.46 -49.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.59 40.4 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.9 p -68.23 114.01 18.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 113' ' ' TYR . 1.2 m -141.14 -44.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 1.114 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 8.4 p -54.03 89.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.63 103.07 5.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.2 p -54.01 -41.29 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.07 -19.18 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -42.36 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 1.019 HD11 HG22 ' A' ' 155' ' ' VAL . 6.4 mt -53.33 172.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.544 HG11 ' HB3' ' A' ' 33' ' ' PRO . 10.5 p -149.57 125.4 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 163' ' ' SER . 5.1 m-85 -69.78 161.82 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 162' ' ' TYR . 80.3 p -36.07 145.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.9 t0 176.38 83.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.9 p90 -117.17 -47.97 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 71.24 148.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -34.81 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.08 -39.09 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -57.1 -57.26 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.9 OUTLIER -61.26 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.27 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.44 120.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.544 ' CG2' HG11 ' A' ' 61' ' ' VAL . 84.6 t -104.64 151.27 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -62.59 102.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 44.03 80.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -178.39 157.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 175' ' ' SER . 16.1 t30 40.39 83.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 -43.96 140.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.32 173.86 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 180' ' ' PRO . 0.1 OUTLIER -113.04 141.4 25.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 179' ' ' HIS . 18.2 Cg_endo -75.03 -172.9 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -148.51 -166.01 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -155.19 157.95 38.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -135.14 129.11 33.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m -99.57 99.87 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -119.46 114.64 22.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -130.33 154.66 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -108.19 143.28 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' ' ND1' ' A' ' 124' ' ' HIS . . . 97.06 -136.93 13.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.96 169.21 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.2 m -45.84 156.01 0.47 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.239 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -171.22 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -77.7 124.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.5 m -160.74 116.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -75.13 113.15 22.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.96 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 101' ' ' VAL . 27.8 m -55.66 136.95 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 81' ' ' ILE . 7.4 p-10 -66.82 -41.68 87.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -155.93 87.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -66.15 128.82 37.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -116.74 127.15 54.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 2.8 m95 -85.55 6.73 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -57.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.07 -55.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.703 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -56.75 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.456 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.29 -175.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 82.97 -147.18 24.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -86.16 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 110' ' ' ILE . 23.8 m95 -136.24 155.68 49.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 25' ' ' LYS . 9.8 m0 -138.53 140.3 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 24.4 mt-10 -60.01 155.94 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -132.41 -91.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -102.52 99.45 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.713 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -132.09 171.88 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.41 134.39 84.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -43.73 167.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.61 21.52 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.0 77.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.43 121.94 41.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 62' ' ' ILE . 8.1 m-85 -156.5 175.8 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.62 114.36 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 165' ' ' PHE . 13.8 ttmm -117.99 57.6 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -162.58 57.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.45 177.21 21.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -126.71 118.52 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -141.25 139.64 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 12.2 pt-20 -144.57 158.57 43.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.637 ' CE2' HG21 ' A' ' 56' ' ' VAL . 20.5 m-85 -107.86 128.3 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -118.72 110.49 38.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 131.73 14.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -174.16 125.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 74.05 25.59 70.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 88.94 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 159.55 20.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -119.55 115.22 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.4 148.92 50.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -141.42 128.85 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 74.3 m -129.84 118.28 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -110.57 139.6 45.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -153.4 120.73 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -169.71 -175.09 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.2 m -115.49 100.14 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 40.1 mt -84.29 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER 38.99 66.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.628 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.28 63.28 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -170.21 125.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.38 120.11 9.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -124.0 159.07 30.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 19.5 t80 -165.55 121.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 ttp -138.44 107.14 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.6 pt-20 -104.35 168.56 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 169.69 164.11 24.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.05 143.08 47.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -96.69 112.76 24.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 48.0 t80 -127.14 148.6 66.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -74.99 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -67.68 -50.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -118.54 -127.82 3.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -44.7 107.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -38.2 -50.99 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -54.93 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 15' ' ' ASP . 9.6 mm -38.73 157.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.36 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 44.67 54.09 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -102.49 110.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -91.86 138.62 31.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.663 ' NE2' ' HB2' ' A' ' 73' ' ' ALA . 3.8 m-70 -102.15 122.04 43.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.56 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 114.31 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.2 114.56 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 94' ' ' THR . 1.6 p -93.02 148.9 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.7 t -146.62 93.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . 36.45 62.98 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.77 -34.92 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 90' ' ' VAL . 4.1 t80 -75.89 93.05 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.726 HG23 HG22 ' A' ' 89' ' ' THR . 21.0 m -99.51 124.98 45.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 142.84 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -96.51 107.82 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 86' ' ' HIS . 7.7 m -97.27 128.91 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 118.32 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 8.6 t80 -121.04 110.14 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -92.71 119.49 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.812 HG21 ' HE2' ' A' ' 17' ' ' PHE . 55.4 t -87.11 103.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.3 mt -38.07 -87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -155.26 111.0 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.849 HG21 ' CE1' ' A' ' 17' ' ' PHE . 3.3 t -101.14 151.16 22.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -94.37 -1.15 54.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASP . 2.7 m120 38.59 63.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.61 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -133.55 -42.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.968 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -109.67 160.55 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -138.43 141.66 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.569 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -122.73 137.93 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -157.7 125.03 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.872 ' HA ' HG22 ' A' ' 128' ' ' VAL . 9.8 t80 -94.16 113.25 25.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.25 168.03 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.4 129.22 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 128.88 53.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -68.31 128.29 36.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' LYS . 0.4 OUTLIER -101.4 109.96 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -52.65 52.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.168 . . . . 0.0 110.35 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.7 -57.08 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -13.55 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER 78.79 -60.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.44 -136.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 6' ' ' GLY . 32.3 p-80 -158.97 170.69 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -126.25 155.37 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.51 ' OD1' ' CE2' ' A' ' 113' ' ' TYR . 1.1 t70 -101.74 99.4 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.62 100.79 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.532 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 113' ' ' TYR . 53.5 t -94.42 138.98 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 129' ' ' TRP . 6.7 p90 -125.12 121.56 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 72.6 t -103.28 141.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -118.04 158.29 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.647 ' HB2' HG21 ' A' ' 29' ' ' VAL . 26.2 t -150.45 153.27 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -55.32 -48.68 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -105.1 164.28 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -56.03 -25.8 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.91 142.06 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.702 ' CD2' ' HB1' ' A' ' 141' ' ' ALA . 1.8 mt -75.74 140.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -154.02 -169.24 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 39.62 -160.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -48.28 -26.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.78 -34.23 62.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -71.9 -34.31 69.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -78.1 -33.48 50.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.968 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.45 -45.56 76.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.665 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 77.2 t -71.86 -49.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.42 -55.76 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -53.62 -54.31 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.569 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 2.3 t80 -56.8 -47.31 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.634 HD12 HG12 ' A' ' 145' ' ' VAL . 34.7 mt -57.36 -54.77 43.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.8 mt -40.54 -49.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -98.11 36.73 3.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.687 ' HB2' HG13 ' A' ' 155' ' ' VAL . 11.3 p -70.65 128.81 90.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.0 Cg_endo -75.07 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.697 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -121.67 -38.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.891 ' CG2' HD11 ' A' ' 160' ' ' LEU . 4.0 p -51.59 103.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.73 101.16 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.89 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.0 p -46.68 -43.52 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.33 -19.99 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -49.96 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.891 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.5 mt -44.65 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 31' ' ' LYS . 11.9 p -151.46 141.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 10.7 m-85 -84.34 158.39 21.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.0 p -39.44 157.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.51 98.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.528 ' CG ' ' HB3' ' A' ' 41' ' ' LYS . 29.4 p90 -118.63 -47.58 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 74.02 149.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -34.69 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.39 -38.46 63.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -69.39 -55.7 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.05 -52.68 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -58.59 108.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 175' ' ' SER . 7.6 p -106.52 151.51 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 174' ' ' ASN . 7.1 p-10 -85.04 103.61 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 173' ' ' ASN . 0.9 OUTLIER 44.05 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.471 ' HB2' ' CG2' ' A' ' 172' ' ' VAL . 0.6 OUTLIER -163.63 -61.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' ' 176' ' ' ASN . 0.7 OUTLIER -101.71 64.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -54.36 134.44 45.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.036 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.4 t -175.26 153.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -40.01 100.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.62 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.85 21.7 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.772 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.98 -166.91 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -137.8 163.15 32.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.2 129.17 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.6 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.501 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -154.63 101.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -100.99 150.17 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -153.18 166.18 33.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.99 142.94 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 79.4 -136.1 16.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.39 -169.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 7.3 m -50.62 143.87 13.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -170.47 0.78 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 11' ' ' VAL . 6.6 mt-10 -73.71 117.8 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.3 m -151.82 115.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -75.57 113.37 25.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 170.18 20.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.729 HG13 HG12 ' A' ' 101' ' ' VAL . 14.7 m -54.59 137.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -65.3 -42.0 93.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -155.83 95.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.724 ' CE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.91 160.02 24.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.67 124.07 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.519 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.4 m95 -83.95 4.09 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -49.57 -38.83 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -116.92 -63.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.669 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.25 93.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -177.24 -165.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.98 -140.65 30.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -98.1 125.06 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.4 m95 -130.48 171.71 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.03 144.69 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 6.0 mm-40 -66.76 147.91 52.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -115.01 -86.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -106.71 91.82 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.645 ' O ' HG12 ' A' ' 161' ' ' VAL . 4.9 tttm -121.07 155.02 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE1' HG11 ' A' ' 2' ' ' VAL . 6.4 m-85 -53.77 133.46 56.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.745 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.04 2.79 6.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER 57.65 179.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.05 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -111.53 14.19 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 51.52 97.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.78 96.71 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER 175.16 156.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 138.08 9.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -106.17 44.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -141.74 61.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.76 177.24 32.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -134.7 143.46 47.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.77 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.03 111.58 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.5 161.77 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.3 m-85 -121.93 126.64 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -105.87 110.95 64.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.28 8.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 42.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.81 -169.67 16.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -49.11 -30.77 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -92.87 160.41 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.519 HG21 ' CE3' ' A' ' 19' ' ' TRP . 14.6 m -136.65 113.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 149.41 43.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 47' ' ' TYR . 78.8 t -145.81 135.1 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 15.3 m -127.62 117.03 21.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.77 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -112.18 133.21 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -153.85 120.17 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 1.3 p-10 -146.88 -175.54 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.644 HG21 ' O ' ' A' ' 170' ' ' CYS . 29.3 m -111.62 98.71 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.881 HD12 ' CG ' ' A' ' 67' ' ' TYR . 43.4 mt -87.26 120.43 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 39.09 76.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.78 69.26 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 172' ' ' VAL . 1.3 ttpp -177.09 114.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 112.61 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.881 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -106.81 168.07 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 45.1 t80 -164.8 129.5 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 ttm -153.75 98.54 2.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -97.36 168.38 10.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 168.24 127.37 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 11.4 t -73.31 168.25 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -116.04 128.16 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.5 t80 -142.87 147.46 41.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.98 135.91 19.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -75.54 -48.03 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -130.45 -120.15 2.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.48 112.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -47.45 -45.52 25.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ILE . 11.9 mttp -56.5 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -38.53 155.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.51 -107.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 43.81 61.05 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -108.51 114.05 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -93.67 143.18 26.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 97' ' ' THR . 10.3 m170 -103.78 154.62 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.25 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -104.03 133.14 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -105.91 146.85 29.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 90' ' ' VAL . 16.8 t -140.21 88.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.68 62.86 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.84 -35.99 3.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.01 98.11 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -97.38 137.63 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -138.03 140.59 40.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -96.39 110.87 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.0 t -92.76 142.78 26.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.1 t -97.29 123.62 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.784 ' CE2' ' CE2' ' A' ' 129' ' ' TRP . 0.1 OUTLIER -113.22 109.82 19.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.68 106.29 18.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.765 HG22 ' HZ2' ' A' ' 129' ' ' TRP . 73.2 t -87.55 92.52 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.7 mt -33.1 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -161.18 96.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.691 HG23 ' OD1' ' A' ' 106' ' ' ASN . 6.3 t -92.35 146.98 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.2 t0 -77.61 -34.73 53.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.691 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.0 m-80 70.76 61.81 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.64 -63.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.834 ' OD1' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -130.92 -45.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.975 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -106.13 160.07 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -138.83 134.44 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -116.41 140.98 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -165.41 149.65 16.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.489 ' CE1' HG23 ' A' ' 154' ' ' VAL . 8.6 t80 -128.32 114.51 16.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 3.4 p -123.19 135.78 54.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -134.56 150.56 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.07 128.93 37.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.22 110.88 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 120' ' ' ASP . 37.4 m-20 -118.52 97.58 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 59.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -78.76 -62.66 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -116.05 -50.81 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 169.99 81.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.81 -144.62 12.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 115' ' ' CYS . 6.6 p80 -151.68 179.25 8.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -122.3 164.48 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -122.33 164.96 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.429 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 1.3 t60 -170.07 116.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 112' ' ' GLY . 55.4 t -95.09 139.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.784 ' CE2' ' CE2' ' A' ' 99' ' ' PHE . 23.3 p90 -108.12 103.2 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 29' ' ' VAL . 22.0 t -98.02 102.45 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.839 ' N ' HD23 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -96.74 154.66 17.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.532 ' HB3' HG13 ' A' ' 29' ' ' VAL . 1.3 t -149.49 150.91 33.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -51.34 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.3 m -104.67 172.89 6.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -59.41 -23.42 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.55 148.29 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -74.14 134.14 42.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 19.2 p -148.34 -178.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.9 -172.07 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.45 -26.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.834 ' HB2' ' OD1' ' A' ' 108' ' ' ASN . . . -52.81 -39.6 62.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -36.32 70.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 0.9 OUTLIER -77.1 -37.25 54.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.975 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.43 -45.59 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.757 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.4 t -71.99 -45.54 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 4.9 mm-40 -54.22 -55.41 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -52.23 -55.04 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 155' ' ' VAL . 10.2 t80 -55.96 -50.72 70.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 83.1 mt -55.48 -56.84 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.32 -49.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.04 41.1 2.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -67.81 124.72 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -29.87 7.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.5 OUTLIER -148.69 -47.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 1.02 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.2 p -53.31 93.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.1 p30 -73.43 107.65 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.742 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.6 p -58.73 -43.33 90.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.47 -24.49 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.72 10.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 1.02 HD11 ' CG2' ' A' ' 155' ' ' VAL . 3.3 mt -45.36 167.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 33' ' ' PRO . 9.8 p -150.04 145.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 11.5 m-85 -90.0 161.95 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 34.8 m -35.79 139.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.29 66.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 52.9 p90 -88.21 -47.74 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.506 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 73.13 149.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.42 -34.63 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.2 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -78.88 -46.85 17.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.644 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 m -58.04 -63.83 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 108.266 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.61 118.11 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.505 HG12 ' HB3' ' A' ' 176' ' ' ASN . 10.7 p -110.86 146.91 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -57.46 115.95 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.11 128.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.91 173.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' ' 172' ' ' VAL . 0.6 OUTLIER 40.52 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -89.54 169.86 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 94.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.32 106.26 55.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.02 9.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.11 -158.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -160.85 161.08 31.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.62 118.94 17.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.631 ' O ' HG13 ' A' ' 2' ' ' VAL . 51.2 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 1' ' ' ASP . 5.1 m -157.81 97.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 39.5 t80 -109.5 153.63 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 33.3 m-70 -151.64 168.0 26.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -109.37 137.96 46.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.618 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 76.47 -131.66 11.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -111.28 -172.9 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 58.9 m -45.84 150.54 0.98 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.2 mt-10 -81.91 125.15 30.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 102' ' ' LEU . 3.4 m -162.52 113.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -67.35 111.73 8.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 17' ' ' PHE . 24.0 m -53.85 124.68 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 81' ' ' ILE . 4.0 p-10 -64.43 -37.85 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -155.55 83.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -66.42 153.47 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -146.78 132.15 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 54' ' ' VAL . 5.7 m95 -86.53 4.38 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -62.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -89.42 -88.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -35.23 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -177.68 -169.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.641 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.19 -137.4 23.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -82.33 118.78 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.88 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 18.5 m95 -145.97 142.23 28.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.473 ' CZ3' ' O ' ' A' ' 40' ' ' GLY . 6.1 m95 -133.46 149.71 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 6.6 mt-10 -55.55 144.21 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -111.08 -83.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.764 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -126.51 119.25 26.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.512 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -150.59 170.19 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 3.0 m-30 -58.53 135.01 85.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.2 Cg_endo -75.01 130.24 13.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -50.55 175.13 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.98 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.35 24.45 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.34 82.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 137.95 50.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -163.11 174.68 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . . . -171.45 119.95 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 2.2 ttmt -111.31 -152.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 28.0 p 41.96 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.4 177.16 29.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.471 ' N ' ' CE3' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -108.36 126.15 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -127.63 142.29 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -155.18 161.49 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.8 m-85 -123.15 134.6 54.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -111.79 109.9 55.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.13 63.13 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -164.42 25.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -29.95 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.69 158.69 15.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 19' ' ' TRP . 3.5 m -136.29 114.63 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 149.38 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' TYR . 41.1 t -131.55 136.54 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.2 p -131.48 138.1 48.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -141.5 157.22 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.61 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -155.47 -178.14 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 170' ' ' CYS . 31.1 m -119.49 114.25 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.967 HD12 ' CG ' ' A' ' 67' ' ' TYR . 34.3 mt -97.58 122.89 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.7 m170 40.25 62.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.781 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 50.3 68.03 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 7.3 ttpt -173.49 122.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.89 113.12 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.5 t80 -117.32 165.34 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 17.4 t80 -153.67 139.11 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.2 ttt -134.8 116.91 15.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -131.67 169.66 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.36 165.73 21.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 87' ' ' SER . 7.3 t -116.4 151.97 34.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB1' ' HH2' ' A' ' 19' ' ' TRP . . . -114.53 112.35 22.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 29.7 t80 -132.53 149.19 72.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -64.05 -52.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.98 -124.26 3.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.89 122.1 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -53.39 -46.65 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.6 mm -41.97 160.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -63.8 -102.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 48.37 47.13 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.256 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.92 107.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 85' ' ' TYR . 5.2 p90 -85.8 136.15 33.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.2 m-70 -98.13 126.93 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.51 ' HB2' HG22 ' A' ' 72' ' ' THR . 20.0 m -83.69 108.29 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.78 136.26 54.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.598 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.4 p -99.83 147.31 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 93' ' ' TYR . 40.8 t -143.9 123.14 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.05 63.37 0.76 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.61 41.93 57.55 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 2.3 t80 -142.83 93.91 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.598 ' OG1' HG22 ' A' ' 89' ' ' THR . 96.1 m -69.15 130.86 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -133.86 138.01 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -95.49 106.32 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.8 m -95.35 133.15 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.1 t -90.28 122.56 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.5 t80 -124.4 109.17 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -89.74 116.56 27.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.65 HG22 ' CE2' ' A' ' 99' ' ' PHE . 72.9 t -86.98 101.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -38.73 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -166.96 98.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.9 t -91.03 155.73 18.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.453 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -82.05 -36.37 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 104' ' ' THR . 4.4 m-80 72.74 52.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.81 -67.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.707 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.3 m-80 -143.27 15.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.884 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -159.09 149.85 19.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.2 mp -141.36 127.06 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.792 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.4 OUTLIER -105.51 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 170.79 -174.04 44.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 102' ' ' LEU . 15.0 t80 -167.11 115.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 0.719 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -117.78 164.06 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.41 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 4.9 p -155.66 151.66 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -122.44 131.93 54.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -77.91 137.79 38.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.83 111.01 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -43.41 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.28 -59.15 5.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -18.5 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 mptt 73.95 140.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.54 -134.19 15.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.7 p80 -158.21 162.12 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -112.88 158.8 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 42.0 m-20 -95.58 159.07 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -175.89 88.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.633 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.2 p -106.51 163.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 131' ' ' LEU . 3.5 p90 -146.81 138.2 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.708 ' C ' HD23 ' A' ' 131' ' ' LEU . 92.3 t -120.09 124.06 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.796 ' N ' HD23 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -101.33 153.34 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.485 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -149.3 142.73 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -42.25 -53.72 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 136' ' ' VAL . 7.0 m -100.28 151.62 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.451 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 1.2 ptp -42.03 -26.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -121.81 156.22 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -75.07 133.57 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.7 p -152.4 -176.92 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.56 -171.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.86 -26.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.34 -28.57 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -72.79 -35.22 67.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -71.52 -38.54 71.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.884 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.95 -45.19 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.843 HG23 ' CD2' ' A' ' 109' ' ' TYR . 3.9 t -70.7 -46.01 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.74 -49.9 64.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -51.95 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.792 ' CE2' HD11 ' A' ' 111' ' ' ILE . 8.5 t80 -54.9 -49.77 70.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 157' ' ' SER . 27.5 mt -50.69 -56.55 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.8 mt -46.09 -49.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.18 42.13 2.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 149' ' ' LEU . 19.3 m -67.52 125.23 90.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.808 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.99 -21.89 15.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -166.13 -38.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.798 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -51.34 116.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.78 101.09 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.7 p -50.16 -46.34 54.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -53.36 -28.3 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -38.95 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.798 HD11 HG22 ' A' ' 155' ' ' VAL . 1.3 mt -47.43 168.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 32.4 t -151.0 144.18 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.764 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m-85 -92.4 161.3 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.0 m -46.64 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 159.07 105.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 166' ' ' SER . 25.9 p90 -115.58 -46.79 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 12.6 m 69.43 150.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.06 -34.14 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.67 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -77.39 -57.3 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.786 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -55.4 -56.92 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -47.19 118.09 2.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 170' ' ' CYS . 60.5 t -119.14 151.21 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.21 105.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.08 143.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.63 169.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.049 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 50.85 83.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.7 155.25 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.28 146.06 47.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.75 96.76 11.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.591 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.23 14.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -138.78 -157.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -152.8 153.47 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.39 119.49 26.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 11.0 tptp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.626 ' O ' HG13 ' A' ' 2' ' ' VAL . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER -158.97 98.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -116.18 138.76 50.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.62 136.63 49.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.11 -134.17 12.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.17 -168.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.3 m -50.53 157.35 1.28 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -75.02 -171.07 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.649 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.0 mt-10 -81.37 120.63 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 10' ' ' GLU . 6.6 m -158.83 113.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -70.92 112.82 14.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 178.47 7.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.048 HG21 ' CD1' ' A' ' 17' ' ' PHE . 18.7 m -55.82 133.62 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.658 ' HA ' HD13 ' A' ' 81' ' ' ILE . 18.5 p-10 -66.18 -35.35 80.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -158.77 96.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.048 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.56 159.39 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -158.02 121.52 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.477 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.8 m95 -86.34 6.22 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.979 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -46.16 -44.46 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.83 -85.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.646 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -29.58 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.54 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -177.07 -161.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.41 -138.19 33.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -96.73 132.12 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.788 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 16.0 m95 -139.33 137.2 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 36.3 m0 -115.34 141.19 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.8 mt-10 -59.41 156.21 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -128.59 -88.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -106.38 92.08 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 -172.81 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.459 ' C ' ' H ' ' A' ' 34' ' ' SER . 2.5 m-85 -88.06 141.72 31.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 51.7 173.61 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 t30 -106.11 26.99 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 35.91 76.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 100.46 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.741 ' CA ' HG23 ' A' ' 62' ' ' ILE . 36.4 p90 179.16 165.98 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.68 170.56 23.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -139.92 40.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.66 67.64 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -147.27 177.13 25.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -119.73 122.85 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -119.94 97.88 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -100.04 159.46 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 56' ' ' VAL . 11.4 m-85 -123.52 133.65 53.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -113.7 110.48 49.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.99 129.27 12.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.97 50.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.84 -173.24 14.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -45.83 -31.68 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.82 158.1 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 49' ' ' PRO . 2.5 m -133.1 119.97 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 149.09 31.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 47' ' ' TYR . 76.0 t -137.71 122.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 4.2 m -122.28 118.32 28.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.63 138.94 51.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.67 120.28 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.26 177.94 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 170' ' ' CYS . 22.1 m -104.44 98.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.004 HD12 ' CG ' ' A' ' 67' ' ' TYR . 74.3 mt -73.88 114.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m170 39.74 77.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 40.91 59.61 2.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.49 117.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 114.74 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -127.16 160.63 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 9.7 t80 -165.45 128.62 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.3 mmt -145.48 124.65 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.9 pt-20 -122.7 167.24 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -179.22 -145.31 6.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.0 t -158.77 144.5 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.357 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -95.24 112.43 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 47.5 t80 -127.96 148.57 67.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.99 135.44 19.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.614 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -79.79 -51.03 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.15 -123.4 2.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -44.2 112.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -50.33 -41.5 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -56.92 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.1 mm -46.22 157.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.96 -106.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.5 55.9 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.729 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -106.93 111.35 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.614 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -90.87 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' NH1' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -100.5 120.55 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.603 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 124.13 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' NH1' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -119.35 105.78 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.498 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.16 148.88 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 91' ' ' GLY . 45.9 t -142.45 168.39 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.34 -49.26 1.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.92 32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.8 94.22 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 89' ' ' THR . 2.2 m -116.39 120.01 37.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -137.9 146.53 43.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -95.57 113.29 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' HIS . 18.6 m -92.92 135.97 33.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.0 t -100.01 117.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.639 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.8 t80 -118.51 110.16 17.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -93.56 102.36 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.811 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.7 t -70.68 96.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.72 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.9 mt -34.08 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -146.43 108.53 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.515 HG23 ' OD1' ' A' ' 106' ' ' ASN . 10.2 t -100.78 139.81 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.99 -16.31 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER 49.2 71.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -75.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.53 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -124.95 -40.02 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.992 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -112.36 162.98 14.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.788 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -143.94 135.29 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -108.95 172.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . 174.79 -175.41 46.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' A' ' 9' ' ' PRO . 21.0 t80 -166.76 113.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.83 171.13 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -157.83 126.66 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.504 ' CE1' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t80 -64.98 134.05 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.71 96.33 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.504 ' OE1' ' CE1' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -76.1 51.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.13 -60.46 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 18.64 16.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.39 74.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.16 -138.67 5.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 115' ' ' CYS . 7.5 p80 -163.68 179.39 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -125.54 161.9 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 2' ' ' VAL . 33.2 t0 -97.31 158.86 15.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.77 102.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.549 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 1.6 p -105.2 163.49 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.453 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 3.1 p90 -139.87 141.33 36.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 107.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.018 ' C ' HD23 ' A' ' 131' ' ' LEU . 42.4 t -119.9 138.07 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.018 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -115.45 160.85 19.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.592 ' OG ' HG13 ' A' ' 29' ' ' VAL . 12.4 p -146.76 160.5 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 108' ' ' ASN . 3.8 ttp180 -64.08 -56.51 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 m -105.69 -173.75 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -62.59 -11.81 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 135' ' ' MET . 1.9 t -159.61 110.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 141' ' ' ALA . 0.4 OUTLIER -65.2 145.15 56.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 10.7 p -144.6 177.41 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.414 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.91 -146.67 48.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -26.63 43.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 137' ' ' LEU . . . -56.28 -45.82 79.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -60.7 -40.12 91.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 95.7 m -65.23 -37.69 88.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.992 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.65 -45.53 70.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.809 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.6 t -72.84 -50.69 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -55.99 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.72 -54.4 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.72 ' HE1' HD13 ' A' ' 102' ' ' LEU . 17.2 t80 -56.92 -50.85 71.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 145' ' ' VAL . 84.7 mt -56.35 -54.56 44.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 22.1 mt -40.33 -50.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.07 38.6 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.596 ' CB ' HG13 ' A' ' 155' ' ' VAL . 5.7 p -69.2 117.12 49.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.744 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.33 11.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -149.41 -43.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 1.007 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p -52.52 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 154' ' ' VAL . 2.2 p30 -74.71 103.49 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.862 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.3 p -54.26 -37.73 65.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -54.25 -18.35 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -46.72 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 1.007 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -47.54 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 53.4 t -150.77 121.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 2.1 m-85 -67.55 162.16 23.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -36.33 124.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -173.77 68.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 166' ' ' SER . 42.4 p90 -84.71 -48.95 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.598 ' N ' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 72.91 149.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 171' ' ' LYS . 3.0 mt-10 -45.91 -35.03 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.16 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -79.78 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.637 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 t -54.68 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -38.45 127.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.531 ' HB ' HG11 ' A' ' 61' ' ' VAL . 7.2 p -108.97 151.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -84.57 115.06 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 67.16 172.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.5 176.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 44.77 85.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -66.29 168.26 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.73 174.6 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -75.1 149.37 84.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.614 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 181' ' ' GLN . 18.2 Cg_endo -75.01 135.82 19.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 180' ' ' PRO . 1.6 mm100 79.9 158.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -152.67 149.28 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -135.2 129.15 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 125' ' ' TRP . 6.0 m -144.35 104.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 73.3 t80 -86.26 158.9 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 53.8 m-70 -155.07 170.44 21.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -105.27 139.26 40.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 -134.66 18.52 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.77 -171.02 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 56.2 m -46.43 140.29 5.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.95 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.3 mt-10 -77.96 123.58 26.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.7 m -158.35 115.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -75.88 114.18 34.5 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.27 29.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 17' ' ' PHE . 16.1 m -49.08 135.06 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 81' ' ' ILE . 2.6 p-10 -66.29 -42.99 87.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -154.31 86.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.811 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.46 129.6 40.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -119.56 123.26 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -69.76 -14.77 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -56.13 10.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' CD ' ' HB3' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -106.09 54.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 175.31 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.64 -160.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.92 -145.55 49.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 2.8 mtpm? -82.45 126.52 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.871 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.9 m95 -140.95 140.95 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -120.9 130.16 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 3.2 mm-40 -49.85 157.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -120.07 -83.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -123.21 106.03 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 32' ' ' TYR . 13.2 ptmt -133.53 135.87 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.9 m-85 -32.36 134.8 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.016 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -146.1 172.51 5.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.84 6.47 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.88 94.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 mttt -115.92 100.14 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 70.3 m-85 -162.59 160.1 25.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.58 113.71 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -105.57 72.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 m -173.0 46.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -135.19 177.26 19.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -134.83 129.87 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -132.7 165.46 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -155.86 152.2 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' HG21 ' A' ' 56' ' ' VAL . 9.4 m-85 -107.92 115.64 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 92.0 m -105.74 118.04 56.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.96 121.6 6.69 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.549 1.815 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.5 45.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 73.44 87.27 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.3 tttt 87.05 -48.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.7 158.67 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.68 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 31.3 m -134.5 112.13 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.1 mttt -72.32 147.16 46.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 47' ' ' TYR . 87.4 t -132.61 132.0 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.28 117.67 23.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.66 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -111.42 142.88 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -152.64 119.91 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 67' ' ' TYR . 2.5 p-10 -156.31 -176.02 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 172' ' ' VAL . 10.2 p -123.81 97.69 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.838 HD12 ' CG ' ' A' ' 67' ' ' TYR . 5.0 mt -74.34 121.85 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m170 63.59 -96.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . -140.75 35.54 1.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -142.26 126.64 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.69 112.52 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.838 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -105.04 162.62 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 8.5 t80 -165.46 133.77 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mtt -144.05 155.48 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 27.0 mt-10 -140.75 166.53 24.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 172.63 148.26 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -110.88 151.71 27.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.68 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -109.8 117.74 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 38.8 t80 -132.09 148.98 71.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.593 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.02 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.875 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -56.3 -52.86 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.78 -118.74 2.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.46 113.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -48.38 -50.86 29.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -53.32 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.1 mp -39.49 155.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.16 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt 43.63 65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -115.68 107.98 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.875 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -81.31 134.82 35.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 97' ' ' THR . 1.4 m-70 -100.65 128.11 46.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -83.87 114.56 21.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -109.31 107.3 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.793 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -88.58 138.46 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 91' ' ' GLY . 86.7 t -136.71 167.43 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -40.03 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 52.42 31.33 35.54 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.03 101.66 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.793 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.7 m -115.58 137.19 52.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 6.8 tptt -149.46 144.86 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.3 mptt -95.76 111.5 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 86' ' ' HIS . 8.7 t -93.31 144.25 25.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.89 125.06 46.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.3 t80 -122.1 109.74 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -86.6 104.32 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.811 HG11 ' CE2' ' A' ' 17' ' ' PHE . 41.2 t -82.16 98.27 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.6 mt -38.75 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -161.81 129.09 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -111.58 170.16 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.431 ' N ' ' OG1' ' A' ' 104' ' ' THR . 1.6 t0 -97.64 -7.46 30.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.409 ' HB3' ' CD ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 43.91 53.94 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -67.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.92 19.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.766 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.88 152.15 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.871 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -145.97 128.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.54 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -115.52 170.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -174.38 -177.02 43.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 154' ' ' VAL . 7.5 t80 -167.26 112.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 24.3 p -130.36 151.71 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -147.67 143.99 28.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.325 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -109.13 120.92 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -73.41 120.77 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -105.96 117.75 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -18.65 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -50.19 22.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -89.26 -12.75 39.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 79.4 -54.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.7 -141.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -159.85 173.6 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 5.0 m95 -134.16 135.35 43.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.79 155.86 16.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.89 116.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.636 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 0.2 OUTLIER -128.31 163.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.492 ' HD1' HD21 ' A' ' 131' ' ' LEU . 7.5 p90 -131.92 126.1 33.3 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.03 ' C ' HD23 ' A' ' 131' ' ' LEU . 91.6 t -94.74 132.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.03 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.45 152.92 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.2 t -150.35 159.12 44.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -55.93 -50.89 69.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -104.12 -168.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -0.86 55.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.07 147.07 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 145' ' ' VAL . 1.3 mt -75.05 134.08 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.5 p -152.79 -174.61 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.23 -169.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -46.98 -24.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.58 -38.5 63.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -63.0 -35.27 79.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 2.3 m -72.21 -38.96 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.34 -47.2 76.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 137' ' ' LEU . 4.4 t -69.36 -43.08 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 3.2 mm-40 -56.42 -57.86 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -54.5 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.913 ' CE1' HG11 ' A' ' 155' ' ' VAL . 3.0 t80 -56.8 -48.65 77.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 145' ' ' VAL . 23.4 mt -56.9 -56.9 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -39.67 -50.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.53 40.85 2.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB3' HG13 ' A' ' 155' ' ' VAL . 1.8 p -68.37 114.0 18.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.747 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.01 -13.44 21.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.1 OUTLIER -165.33 -42.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.913 HG11 ' CE1' ' A' ' 148' ' ' TYR . 7.5 p -54.34 93.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -78.99 107.22 11.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.935 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.1 p -58.03 -45.39 87.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.24 -20.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -92.63 -47.05 7.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -46.41 171.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 33' ' ' PRO . 8.5 p -150.2 130.61 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 22.6 m-85 -77.75 160.77 28.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' VAL . 19.8 m -39.38 159.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.8 m-20 161.49 104.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.652 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 26.0 p90 -120.29 -46.02 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.508 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 83.36 144.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.96 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.19 -34.54 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.13 -33.29 57.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -69.99 -55.19 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -34.38 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -75.03 144.87 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 61' ' ' VAL . 56.0 t -133.22 151.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -73.19 104.87 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 m120 43.02 88.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 -71.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -100.77 64.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -46.02 134.06 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 168.46 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.43 18.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -173.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -149.36 -166.48 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.42 163.83 31.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.56 121.73 23.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 13.2 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 127' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.542 HG13 ' CG ' ' A' ' 1' ' ' ASP . 35.8 m -128.49 130.9 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.43 153.47 20.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -146.87 171.17 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.428 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 11.6 t0 -102.4 141.63 34.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 73.33 -144.07 33.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -117.15 -167.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 m -51.94 136.29 37.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 108.331 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -80.87 121.99 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.3 m -155.17 113.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.39 113.41 25.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.2 Cg_endo -75.0 169.99 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.074 HG21 ' CD2' ' A' ' 17' ' ' PHE . 3.4 m -55.05 123.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.742 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -157.78 88.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.074 ' CD2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.21 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -123.15 116.64 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 2.8 m95 -84.1 7.38 18.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.056 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -62.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -98.49 -46.6 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -57.17 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -177.67 -178.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.59 -138.83 14.46 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -105.64 122.48 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 110' ' ' ILE . 15.2 m95 -127.23 167.9 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -141.91 132.54 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -39.87 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.61 HG22 ' CB ' ' A' ' 132' ' ' SER . 1.2 t -119.18 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.587 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -121.93 95.72 4.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 165.87 14.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 38.2 m-85 -60.75 139.55 93.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 128.95 11.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.27 167.39 1.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -90.19 19.24 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.23 79.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.4 mttt -129.77 138.47 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.994 ' O ' HG23 ' A' ' 62' ' ' ILE . 13.2 m-85 -155.34 174.88 14.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.0 113.64 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -105.55 -142.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.2 p 42.24 41.27 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.23 177.46 20.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 59' ' ' TYR . 1.9 p90 -122.05 119.93 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -136.1 98.73 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.55 159.21 15.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.9 m-85 -121.27 117.96 28.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -98.0 109.91 53.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HA ' HG13 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.0 131.16 13.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -152.8 48.72 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.19 -171.88 13.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -31.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.55 152.6 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG13 ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -125.83 141.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -85.43 147.86 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CD2' ' A' ' 47' ' ' TYR . 99.1 t -135.14 133.87 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.7 p -131.37 117.87 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -115.64 133.74 55.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.96 120.65 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -167.67 172.59 9.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.729 HG12 ' HG2' ' A' ' 66' ' ' GLU . 5.1 m -101.56 116.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.994 HG23 ' O ' ' A' ' 39' ' ' TYR . 26.2 mt -104.53 118.78 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 38' ' ' LYS . 47.3 m170 45.73 77.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.564 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.81 60.35 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 115.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.729 ' HG2' HG12 ' A' ' 61' ' ' VAL . 36.1 mt-10 -63.9 112.84 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -111.1 165.01 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 58' ' ' ARG . 69.2 t80 -164.76 149.08 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ttm -166.79 117.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 5.7 pt-20 -118.63 169.47 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.5 161.26 12.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.7 t -110.6 148.17 32.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 114.49 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 30.8 t80 -129.55 146.67 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.95 129.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -78.17 -49.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.43 -129.81 5.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -49.14 113.09 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 74.3 m -39.06 -55.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 9.0 ptpt -54.22 -55.91 23.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -52.79 151.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.62 -105.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 41.55 55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.87 111.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.6 p90 -91.81 130.64 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.632 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -94.91 121.61 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.596 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -80.13 119.27 22.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.632 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 2.2 mtp180 -98.57 106.43 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.53 142.51 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 91' ' ' GLY . 43.9 t -141.99 169.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.542 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.59 -44.14 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.7 36.7 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.68 104.4 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.7 m -117.17 116.74 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -133.67 138.14 45.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 1.3 mtpt -95.43 112.92 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.454 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 53.6 m -97.32 141.55 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.7 132.41 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.2 t80 -131.4 110.47 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.5 108.89 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.644 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 50.7 t -88.72 102.31 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -34.72 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.446 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -166.33 103.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.431 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -84.68 155.64 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -86.77 0.37 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' ASP . 2.6 p-10 38.75 68.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -75.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.818 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.14 -39.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.797 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -108.47 160.57 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.716 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -135.64 137.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.797 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.8 tp -118.27 142.56 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.482 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -155.26 179.06 31.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -165.25 113.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 80.5 p -129.04 157.1 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.4 145.69 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -106.09 122.91 47.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.98 128.12 34.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.605 ' OD1' ' CD1' ' A' ' 125' ' ' TRP . 7.5 p-10 -143.89 98.96 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.94 53.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -86.08 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.34 12.56 17.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.18 73.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.25 -151.22 7.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.0 p80 -163.15 157.56 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.605 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 54.6 m95 -107.38 125.38 51.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.09 134.97 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.568 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -167.25 128.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.738 HG22 ' H ' ' A' ' 129' ' ' TRP . 5.8 p -132.67 179.95 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.781 ' HD1' HD21 ' A' ' 131' ' ' LEU . 8.7 p90 -142.34 120.11 11.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.029 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.027 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.9 t -93.63 140.46 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.027 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -116.96 140.39 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.61 ' CB ' HG22 ' A' ' 29' ' ' VAL . 12.5 p -122.78 141.79 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -57.61 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m -105.7 -163.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -27.48 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.92 157.54 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.673 HD21 ' HB ' ' A' ' 145' ' ' VAL . 9.4 tp -74.5 135.15 42.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.805 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.9 p -152.89 -169.84 3.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 41.66 -153.77 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.083 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -20.65 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -56.15 -43.79 78.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -65.0 -31.34 72.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.8 m -69.81 -51.0 37.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.4 -44.91 72.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.673 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -69.91 -32.62 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.7 -58.15 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -50.08 63.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.901 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 36.8 t80 -55.23 -53.96 49.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 157' ' ' SER . 51.7 mt -55.63 -55.37 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 83.1 mt -40.01 -48.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.05 40.69 2.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.6 p -68.11 112.98 12.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.582 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.95 -21.13 16.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 153' ' ' PRO . 2.4 m -156.54 -44.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.901 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 7.5 p -53.23 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.77 108.32 8.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.946 ' HA ' HD12 ' A' ' 160' ' ' LEU . 9.9 p -59.8 -44.8 93.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -53.92 -19.83 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.441 ' HE3' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -92.15 -47.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.5 mt -48.55 174.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 34.8 t -150.4 122.16 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.3 m-85 -68.19 161.13 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' VAL . 12.7 m -42.62 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 163' ' ' SER . 3.7 m-20 159.8 88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 34.0 p90 -110.0 -47.85 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER 65.58 149.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -34.32 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.07 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -70.0 -55.38 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.763 ' O ' HG23 ' A' ' 172' ' ' VAL . 15.2 m -57.24 -57.56 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -54.45 119.68 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 170' ' ' CYS . 48.4 t -120.35 145.73 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -57.56 120.75 8.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.85 125.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.7 m 64.05 170.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.68 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.63 165.21 12.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.027 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.89 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -143.81 76.5 15.49 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.83 36.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -144.83 -159.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -161.21 168.15 24.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -135.31 129.14 33.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.4 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.51 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 11.9 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.6 150.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 2.6 p90 -73.06 122.2 21.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 50.7 m80 -90.82 173.14 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.92 149.21 24.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 -138.15 18.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -105.2 -168.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -70.18 147.01 95.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -170.34 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' VAL . 15.0 mt-10 -85.01 127.08 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.0 m -155.26 115.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -75.3 113.79 29.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.98 166.0 30.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 101' ' ' VAL . 4.2 m -54.1 138.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.04 -42.94 88.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -158.29 91.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 115.11 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 53.6 m95 -62.91 -21.8 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.046 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -48.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 5.5 pm0 -95.17 55.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 175.43 83.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.72 -164.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 70.64 -146.03 41.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -92.27 118.31 30.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.695 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.6 m95 -121.52 148.72 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.42 116.87 23.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.46 158.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.929 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -119.93 -86.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -124.96 123.96 41.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.58 159.07 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 1' ' ' ASP . 2.8 m-85 -49.58 130.52 19.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 129.9 12.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -46.75 173.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -91.92 24.87 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.19 83.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -128.88 132.26 47.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 15.9 m-85 -156.89 176.06 13.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.54 118.86 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -111.63 80.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' C ' ' HB3' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -168.16 72.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.08 176.88 33.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 p90 -132.27 121.34 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.575 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -136.37 142.53 43.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -142.6 151.18 41.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD2' HG22 ' A' ' 56' ' ' VAL . 10.2 m-85 -105.62 104.84 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.0 m -93.54 131.39 32.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 131.63 14.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 48.47 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 59.23 87.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 86.54 -48.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -91.8 155.12 18.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 4.9 m -129.42 110.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.815 ' HG2' HG22 ' A' ' 72' ' ' THR . 1.9 mtpt -66.22 134.46 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 47' ' ' TYR . 68.2 t -129.96 130.72 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.3 m -131.89 118.09 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.6 mtp180 -113.56 136.69 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.08 119.49 5.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -159.51 -175.25 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 61' ' ' VAL . 17.9 m -115.55 99.19 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 27.8 mt -87.86 117.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 40.71 79.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.828 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.94 51.69 1.53 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.28 108.6 2.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -60.91 112.86 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -102.54 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.07 133.74 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -160.45 119.67 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.7 pt-20 -126.97 170.43 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.83 175.21 38.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' HG2' ' A' ' 55' ' ' LYS . 76.7 p -119.16 127.82 53.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -83.35 111.92 19.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.6 t80 -128.24 149.33 71.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 126.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 77' ' ' GLY . 1.1 t -72.23 -49.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.09 -132.61 4.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.74 115.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -43.08 -48.33 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -54.29 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.58 150.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -51.8 -106.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 45.2 58.94 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -109.49 112.81 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -96.44 144.22 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' THR . 13.1 m-70 -102.33 132.58 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.408 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 11.8 t -80.31 109.71 15.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 12.2 ptm180 -103.53 125.17 49.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.994 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.1 p -100.23 137.37 38.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' GLY . 1.5 t -121.84 162.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.8 57.81 0.35 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 173.94 -55.28 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -149.32 161.76 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.994 ' OG1' HG22 ' A' ' 89' ' ' THR . 16.2 m -102.91 140.08 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 4.5 tptt -125.46 143.52 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -96.28 112.68 24.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' HIS . 38.1 m -93.14 125.53 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.57 128.81 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.763 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 87.7 t80 -133.6 110.07 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -83.05 128.69 34.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 17' ' ' PHE . 54.3 t -101.24 101.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' HE1' ' A' ' 148' ' ' TYR . 10.5 mt -39.8 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.27 116.57 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -104.57 160.32 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -8.68 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 3.4 m-80 46.64 55.25 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 -70.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.502 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -143.62 21.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.878 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -159.61 145.63 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.695 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -141.26 133.99 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -124.3 149.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -164.82 126.69 1.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.946 ' HA ' HG22 ' A' ' 128' ' ' VAL . 7.0 t80 -107.94 113.06 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 17.6 t -126.92 155.13 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.403 ' SG ' ' CG ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -156.56 142.64 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 117' ' ' TYR . 2.4 tpt180 -126.73 131.82 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.42 ' N ' ' HD2' ' A' ' 116' ' ' ARG . 44.0 t80 -81.27 117.6 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 120' ' ' ASP . 1.5 m-20 -138.44 128.68 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 44.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -111.08 -48.16 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 163.95 -33.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.98 -151.56 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 124' ' ' HIS . 1.3 p-80 -101.02 174.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 109.625 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -117.35 113.89 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -94.84 103.02 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 115.29 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 113' ' ' TYR . 24.9 t -104.16 153.23 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.763 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -137.8 138.15 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 29' ' ' VAL . 50.0 t -120.73 121.68 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 130' ' ' VAL . 5.5 mt -103.18 153.12 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.8 t -149.28 158.15 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.21 -17.19 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -175.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.03 4.39 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 131.08 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.929 ' HG ' HG11 ' A' ' 29' ' ' VAL . 2.2 mt -72.7 137.22 45.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.605 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 18.8 p -151.63 -169.33 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.02 -156.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.07 -23.94 22.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.91 -29.52 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 138' ' ' THR . 1.5 mtmm -75.69 -26.01 57.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.3 m -82.99 -39.9 20.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.756 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.06 -46.39 75.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.878 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.7 t -71.62 -47.06 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -57.03 12.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.46 -54.47 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.679 ' HE1' HD13 ' A' ' 102' ' ' LEU . 16.8 t80 -56.75 -49.37 75.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.2 mt -56.12 -57.23 13.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LEU . 79.2 mt -39.4 -49.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.28 40.66 2.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.4 p -67.78 127.99 93.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.52 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.453 HG23 ' CE2' ' A' ' 113' ' ' TYR . 6.8 m -149.33 -43.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.88 102.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.29 103.96 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB3' HD22 ' A' ' 149' ' ' LEU . 1.4 p -54.4 -37.78 65.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.51 -16.67 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.9 OUTLIER -104.93 -39.94 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 155' ' ' VAL . 3.5 mt -44.99 169.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 3.4 t -147.31 136.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.679 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 2.8 m-85 -86.81 162.21 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.2 m -41.52 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.8 m-20 157.12 101.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 21.3 p90 -120.6 -48.12 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 79.96 146.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -35.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.05 -38.11 62.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.65 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -66.76 -54.92 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.63 -48.43 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.68 110.73 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.828 HG13 ' HA2' ' A' ' 64' ' ' GLY . 18.7 t -99.44 147.34 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.77 104.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 46.07 82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.33 155.56 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 45.81 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -49.01 158.26 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.94 -179.3 6.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 112.42 65.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -144.68 -159.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -161.1 144.86 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -135.24 128.88 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -147.75 99.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -112.91 147.74 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 48.6 m80 -148.34 168.92 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.655 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.77 142.7 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.94 -144.06 33.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -91.32 176.96 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 124' ' ' HIS . 59.2 m -40.89 152.32 0.25 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -171.27 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.814 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.756 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.1 mt-10 -75.53 124.51 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.6 m -162.06 110.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 112.43 21.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.0 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG13 HG12 ' A' ' 101' ' ' VAL . 13.8 m -56.84 130.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.5 t70 -66.06 -38.86 89.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -152.6 94.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.768 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -68.16 130.25 42.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.79 112.15 22.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CE3' HG21 ' A' ' 54' ' ' VAL . 28.9 m95 -69.27 -11.11 60.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 4.9 pm0 -102.34 62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 175.78 83.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.636 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.83 -164.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 -146.71 44.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 12.0 mtmt -79.97 118.87 22.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.7 m95 -135.78 134.93 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.463 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 6.8 m0 -117.83 127.85 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 15.2 mt-10 -46.0 155.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -121.84 -90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -106.54 101.33 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -128.6 168.0 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' O ' ' OH ' ' A' ' 39' ' ' TYR . 25.8 m-85 -74.51 131.64 79.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -74.98 114.04 3.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.94 171.39 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.94 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -84.05 7.66 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.82 76.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 14.1 ttpt -131.0 135.1 47.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 25.7 m-85 -166.04 171.58 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.62 108.09 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -104.26 80.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -172.28 42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -131.41 178.9 17.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -136.99 118.82 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -119.23 156.87 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.1 m-85 -102.19 124.68 48.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -99.71 109.56 55.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.04 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 50.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -164.88 12.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.39 163.17 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 49' ' ' PRO . 4.5 m -135.1 124.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -77.48 149.24 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' TYR . 46.9 t -139.43 136.38 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.0 m -131.22 117.62 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.733 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 ttm180 -106.55 140.34 39.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.75 120.27 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.38 -175.28 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.5 m -115.37 98.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.989 HD12 ' CG ' ' A' ' 67' ' ' TYR . 73.7 mt -81.08 117.02 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 m170 40.97 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.583 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 39.01 59.2 1.78 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.12 117.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.51 113.2 3.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.989 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -115.46 164.67 13.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -165.07 133.35 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.3 mmt -147.76 113.5 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 170.09 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 167.48 137.47 2.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.4 t -96.36 150.84 20.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -104.97 112.0 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 35.7 t80 -125.0 148.49 60.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -62.67 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.61 -126.78 2.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.14 111.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.7 p -45.85 -45.49 15.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.0 mttm -55.51 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -42.6 164.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.59 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.33 63.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.94 105.92 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.791 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -78.97 135.52 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.549 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -107.37 121.05 43.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.66 131.73 35.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 104.61 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.782 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.7 p -82.77 148.58 27.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -149.3 101.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.41 -94.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.98 36.94 2.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.89 95.66 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.5 m -105.77 131.25 53.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -140.02 145.39 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -95.6 115.92 28.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 24.3 m -100.26 141.05 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.83 139.62 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -131.75 110.51 10.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 113' ' ' TYR . 1.2 m-80 -85.73 102.0 13.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.768 HG21 ' HE2' ' A' ' 17' ' ' PHE . 43.1 t -83.55 92.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 148' ' ' TYR . 6.2 mt -35.44 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.464 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -163.06 114.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.94 160.5 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -90.54 -2.86 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 40.34 66.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 -70.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.648 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.5 m-80 -147.33 18.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.872 ' CD2' HG22 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.23 160.12 40.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.521 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -146.3 135.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.505 ' HB ' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.11 165.08 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.912 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.96 173.04 46.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 154' ' ' VAL . 11.9 t80 -151.58 111.9 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.01 165.22 13.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -157.19 135.81 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 16.8 ptt180 -104.07 121.84 44.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.74 125.62 27.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' LYS . 7.7 t0 -107.72 122.87 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.12 -51.65 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.16 -47.78 68.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -83.59 -17.0 43.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER 79.04 -56.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.93 -135.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 1.8 p-80 -160.74 174.12 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 76.2 m95 -125.81 160.76 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.8 149.83 22.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -175.16 115.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.912 HG21 ' C ' ' A' ' 112' ' ' GLY . 1.5 p -139.71 168.74 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.772 ' HD1' HD21 ' A' ' 131' ' ' LEU . 3.9 p90 -135.26 137.06 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.994 HG12 HG23 ' A' ' 29' ' ' VAL . 73.7 t -106.11 128.34 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.92 ' N ' HD23 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -106.41 156.3 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.428 ' HB2' HG21 ' A' ' 29' ' ' VAL . 3.3 t -149.65 150.41 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.483 ' CB ' ' OD1' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -51.04 -57.04 9.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 m -99.8 173.91 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -26.47 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -122.78 144.77 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 145' ' ' VAL . 1.2 mt -67.63 133.52 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 81.5 p -151.33 -172.29 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 45.26 -170.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -46.73 -24.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.53 -32.0 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -71.12 -30.33 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.4 m -79.27 -37.95 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 137' ' ' LEU . 11.7 t -71.44 -48.71 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 150' ' ' ILE . 2.1 mm-40 -52.52 -57.03 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.69 -54.13 45.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.705 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 29.0 t80 -56.47 -49.98 73.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 157' ' ' SER . 22.7 mt -56.78 -56.53 20.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 149' ' ' LEU . 27.8 mt -37.76 -49.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.75 43.35 1.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.4 p -67.26 126.79 93.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.46 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.94 -26.31 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -156.11 -44.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.7 p -52.99 102.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 159' ' ' LYS . 0.4 OUTLIER -89.42 101.75 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' SER . . . . . 1.016 ' HB3' HD22 ' A' ' 149' ' ' LEU . 6.5 p -46.89 -41.19 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -52.96 -22.22 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -91.22 -47.5 7.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.2 mt -46.89 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' A' ' 33' ' ' PRO . 5.6 t -149.93 130.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.9 m-85 -78.87 157.4 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 14.0 m -41.47 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.4 OUTLIER 156.53 110.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.8 p90 -122.49 -47.52 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.1 OUTLIER 79.45 147.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -34.51 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.81 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -68.35 -57.86 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.756 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.1 OUTLIER -54.83 -48.77 72.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.322 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.64 120.22 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 170' ' ' CYS . 81.7 t -117.33 149.44 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -78.41 103.16 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 43.25 90.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.469 ' HB2' HG12 ' A' ' 172' ' ' VAL . 0.4 OUTLIER 173.21 -68.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -104.92 66.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -69.22 127.46 33.14 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.8 t -105.63 170.7 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -144.99 110.0 4.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.587 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.37 11.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -143.47 -163.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -138.54 139.7 38.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.17 129.33 33.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 16.4 mttt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 32' ' ' TYR . 1.8 m -123.5 110.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -111.63 102.24 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 22.4 m-70 -102.26 169.66 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.567 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -98.67 144.92 27.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.48 -135.5 14.97 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.72 -173.0 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 137.95 3.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.98 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -79.79 110.95 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.63 115.22 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -75.33 113.55 26.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -74.96 175.49 11.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG13 HG12 ' A' ' 101' ' ' VAL . 3.3 m -52.88 129.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HA ' HD13 ' A' ' 81' ' ' ILE . 11.7 p-10 -65.29 -34.11 77.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.19 93.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.66 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -65.53 159.61 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -157.71 121.31 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -85.78 5.9 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -47.45 -47.28 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.049 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.75 -56.58 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -56.67 84.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -171.04 -173.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.2 -145.99 20.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.85 120.77 41.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' ' CD1' ' A' ' 110' ' ' ILE . 12.4 m95 -123.36 171.75 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 19.5 m0 -143.14 129.59 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mp0 -47.94 146.18 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.978 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -115.05 -80.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -132.4 113.82 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -137.35 150.45 47.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 2' ' ' VAL . 3.5 m-85 -42.82 134.03 2.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.95 122.19 7.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.1 178.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -42.85 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -104.09 20.48 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 42.24 78.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.63 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 pttt -128.59 120.76 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 9.8 m-85 -166.04 169.99 14.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.41 117.46 0.92 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 3.1 mptt -102.48 57.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.11 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.25 171.58 21.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -122.79 122.57 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -117.25 98.8 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.48 161.77 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -123.23 126.53 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -106.26 110.01 63.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.9 43.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -165.91 12.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -46.67 -30.56 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 158.98 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.754 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.6 m -136.76 117.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.11 139.4 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -130.21 123.26 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.707 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -116.29 133.36 56.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.59 120.6 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -146.85 -174.44 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' OE1' ' A' ' 66' ' ' GLU . 43.6 t -114.82 99.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.116 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -64.06 149.91 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' ILE . 18.4 m170 -36.99 88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 65.47 54.12 28.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.9 159.7 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.802 ' OE1' HG13 ' A' ' 61' ' ' VAL . 51.6 mm-40 -122.79 112.62 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.116 ' CD1' HD12 ' A' ' 62' ' ' ILE . 13.5 p90 -130.01 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 3.5 t80 -164.15 108.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.9 mmt -105.05 133.37 49.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.474 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -141.34 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.57 136.96 2.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.6 t -75.06 152.82 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . . . -102.06 114.09 27.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 19.7 t80 -129.66 149.5 73.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.1 t -66.41 -53.63 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.65 -119.4 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.19 114.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -50.99 -44.82 60.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.64 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.2 mm -44.99 154.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.75 -106.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.08 61.25 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -108.75 107.92 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.806 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.81 139.79 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 73' ' ' ALA . 9.6 m-70 -104.05 121.61 43.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.69 108.85 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 97' ' ' THR . 0.1 OUTLIER -103.37 116.94 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.571 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.62 145.16 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' GLY . 55.7 t -141.64 90.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.39 -86.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -129.75 33.31 3.0 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -144.52 94.54 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 89' ' ' THR . 22.6 m -90.31 135.15 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 135.11 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -95.28 107.21 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.53 HG21 ' NH1' ' A' ' 88' ' ' ARG . 65.8 m -94.17 140.22 30.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.03 127.51 61.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CE2' HG22 ' A' ' 101' ' ' VAL . 2.7 t80 -126.23 109.69 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.43 103.73 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG22 ' CE2' ' A' ' 99' ' ' PHE . 70.3 t -75.18 96.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.802 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.2 mt -35.9 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -166.87 89.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.43 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.1 t -77.05 154.62 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 106' ' ' ASN . 23.1 p-10 -94.0 -1.89 53.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 38.95 64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -62.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.796 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -139.87 -43.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.91 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -108.25 154.24 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.719 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -122.93 133.21 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.768 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.6 tp -111.03 131.93 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.54 164.53 31.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -152.44 113.18 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.6 p -125.97 138.99 53.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 139.25 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 127.98 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.03 138.95 46.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.93 125.72 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.44 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -50.1 -56.67 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -67.66 -20.39 65.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 80.32 -54.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.45 -141.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 5' ' ' ASP . 10.0 p-80 -154.58 176.51 12.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -132.8 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -112.92 113.15 25.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 2.6 p80 -130.59 104.74 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.9 OUTLIER -105.52 -178.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 128' ' ' VAL . 4.1 p90 -147.29 124.88 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.927 ' C ' HD23 ' A' ' 131' ' ' LEU . 85.3 t -105.7 124.16 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.927 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -112.44 149.86 31.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB3' HG22 ' A' ' 29' ' ' VAL . 2.0 t -149.86 151.03 32.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -52.19 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 m -104.51 -171.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.4 148.34 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.978 ' HG ' HG11 ' A' ' 29' ' ' VAL . 7.2 mt -75.08 142.43 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.734 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -154.73 -167.32 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 33.9 -151.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.143 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.08 -24.61 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -52.16 -45.79 65.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -63.64 -36.08 82.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.6 m -66.77 -49.37 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.91 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.35 -40.62 71.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.63 -39.38 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.17 -56.84 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -54.03 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.802 ' HE1' HD13 ' A' ' 102' ' ' LEU . 18.4 t80 -56.6 -49.51 74.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.1 mt -56.59 -56.8 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 98.0 mt -40.61 -48.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.39 39.72 2.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.2 p -68.74 115.65 32.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.96 7.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -146.1 -44.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.976 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.5 p -53.26 90.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.2 p30 -74.3 104.1 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.768 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.7 p -56.49 -43.17 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -52.81 -23.12 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -38.66 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.976 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.7 mt -47.21 170.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 31' ' ' LYS . 13.6 p -146.02 135.04 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.4 m-85 -92.99 161.98 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 28.9 p -39.27 160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.4 m-20 159.2 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 27.4 p90 -117.53 -42.3 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 71.77 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.48 -34.82 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.23 -35.16 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -75.84 -54.47 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -54.0 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.45 163.85 26.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.39 147.25 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.62 107.99 7.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.82 125.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.82 173.61 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 43.71 87.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -81.63 158.31 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.8 71.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 126.24 21.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -148.35 -168.87 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.02 158.75 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -129.92 127.52 40.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.4 tttp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 2' ' ' VAL . 36.0 m -138.78 104.74 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.7 t80 -74.84 156.79 36.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' NE2' ' OD2' ' A' ' 126' ' ' ASP . 79.7 m-70 -143.41 178.8 7.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.4 13.88 11.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.97 -137.41 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.76 -166.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.17 133.48 95.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.03 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.6 mt-10 -84.15 126.96 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -153.66 111.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -75.99 113.16 24.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.07 171.96 17.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.782 HG13 HG12 ' A' ' 101' ' ' VAL . 30.2 m -56.06 138.05 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -67.53 -42.53 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.8 p30 -152.25 89.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.957 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.5 OUTLIER -66.98 124.06 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.84 124.38 50.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 13.7 m95 -76.31 -3.78 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -50.5 -55.61 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -113.01 61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.9 OUTLIER 174.83 82.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -177.65 -158.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.564 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 65.06 -149.62 51.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 122.43 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 8.8 m95 -136.15 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.01 134.89 46.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 163.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -123.72 -77.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 161' ' ' VAL . . . -134.51 116.33 14.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.2 134.79 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' LYS . 50.9 m-85 -30.38 127.89 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' CG1' ' A' ' 161' ' ' VAL . 18.3 Cg_endo -75.04 143.12 28.56 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -59.22 178.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.02 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.7 t-20 -93.63 23.74 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.07 77.91 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -129.52 135.89 49.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 44.2 m-85 -167.82 173.38 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.98 108.13 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -103.29 63.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.6 m -163.57 51.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.32 177.41 22.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 10.3 p90 -130.64 142.18 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.588 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -144.52 114.95 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -113.07 159.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.731 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.8 m-85 -109.27 134.78 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -108.7 109.13 61.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 116.06 4.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.32 43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.01 -164.37 15.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -29.41 18.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -96.77 158.6 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 73' ' ' ALA . 35.1 m -133.0 121.78 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -75.89 148.64 38.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.731 HG21 ' CE2' ' A' ' 47' ' ' TYR . 17.6 t -140.02 136.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 p -131.34 117.82 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.588 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.1 ttt85 -109.65 143.37 39.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.96 120.78 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.09 -174.48 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.69 99.19 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.021 HD12 ' CG ' ' A' ' 67' ' ' TYR . 44.1 mt -82.66 122.53 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 m170 40.0 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 59.73 1.04 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -162.59 121.47 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.4 113.72 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.021 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.3 t80 -123.01 159.86 27.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 10.1 t80 -165.58 139.87 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 121.44 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.66 166.84 10.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -177.95 158.23 23.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.4 t -123.2 145.35 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -100.26 112.35 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 37.3 t80 -126.58 148.73 65.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.01 129.79 12.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.46 -46.96 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.01 -124.18 2.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 114.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 m -45.55 -50.89 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' ILE . 42.7 mttp -55.41 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 15' ' ' ASP . 16.8 mm -39.41 157.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.34 -106.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.41 59.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.8 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.12 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.698 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -81.14 137.85 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.711 ' O ' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -107.02 136.7 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.583 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 106.07 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.61 110.74 22.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.8 p -77.03 149.68 35.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 90' ' ' VAL . 3.1 t -139.51 90.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.24 50.47 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.17 -39.13 2.98 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -74.58 100.73 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 89' ' ' THR . 37.3 m -98.78 129.34 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -133.76 137.09 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -96.5 104.9 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 86' ' ' HIS . 13.2 t -91.49 141.38 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.7 127.68 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 40.0 t80 -124.89 110.55 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -86.35 108.14 18.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.782 HG12 HG13 ' A' ' 14' ' ' VAL . 66.7 t -78.04 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -31.13 -86.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -154.5 73.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.957 HG21 ' CE1' ' A' ' 17' ' ' PHE . 9.6 t -53.8 144.67 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.462 ' C ' ' ND2' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -77.82 -35.7 51.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' A' ' 104' ' ' THR . 3.4 m-80 71.25 49.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -78.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.812 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 2.4 m120 -123.52 -42.58 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 1.176 ' CE2' HG23 ' A' ' 145' ' ' VAL . 2.6 t80 -110.07 143.66 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.716 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -112.49 135.88 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.813 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -109.86 133.9 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.509 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -159.1 167.7 34.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.487 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 48.8 t80 -149.89 132.86 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 148.74 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -147.2 131.69 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.348 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -101.63 141.58 34.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.33 130.16 34.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.73 96.79 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.62 59.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -110.48 14.1 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 80.07 72.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.62 -137.49 3.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 3.8 p-80 -161.33 179.12 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.592 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 4.6 m95 -142.01 148.08 37.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . 60.1 m-20 -108.2 153.08 23.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 127' ' ' HIS . 1.0 OUTLIER -161.21 94.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 112' ' ' GLY . 1.4 p -98.89 157.83 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.752 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 1.4 p90 -120.68 146.24 46.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 99.1 t -124.92 125.2 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -117.4 141.86 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.617 ' OG ' HG13 ' A' ' 29' ' ' VAL . 88.2 p -143.01 148.99 37.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -42.44 63.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 m -102.01 175.26 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -17.09 64.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.41 157.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 109' ' ' TYR . 2.0 mt -75.73 134.68 40.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.754 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -153.32 -168.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.39 -167.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.83 -24.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -51.94 -45.18 64.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -55.19 -34.89 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.4 m -65.16 -49.08 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.28 -35.42 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.176 HG23 ' CE2' ' A' ' 109' ' ' TYR . 0.7 OUTLIER -78.46 -39.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -57.33 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.63 -53.44 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 111' ' ' ILE . 13.2 t80 -55.35 -51.85 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.7 -56.42 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LEU . 38.9 mt -39.91 -49.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.24 42.92 1.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.3 p -66.19 115.51 24.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.614 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -75.03 -17.1 19.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -164.49 -40.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 160' ' ' LEU . 5.7 p -51.12 106.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.54 106.09 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.0 p -57.65 -48.33 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -53.35 -20.03 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.41 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 1.054 HD11 HG22 ' A' ' 155' ' ' VAL . 3.2 mt -56.26 172.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.622 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 7.5 p -146.79 157.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 163' ' ' SER . 13.9 m-85 -117.72 162.37 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 162' ' ' TYR . 43.4 p -41.82 164.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.3 OUTLIER 162.82 94.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 21.1 p90 -119.04 -47.78 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.6 OUTLIER 68.93 152.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.008 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -34.47 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.78 -28.39 48.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -81.28 -55.75 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -39.57 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -65.62 111.5 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.87 151.0 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -56.99 169.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.58 112.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 37.6 t 178.79 -67.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -104.55 66.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -42.46 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 107.982 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.23 177.52 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -134.1 96.46 15.91 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -166.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.504 ' CG ' ' N ' ' A' ' 183' ' ' GLU . 89.9 t80 -147.05 172.23 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 182' ' ' PHE . 4.5 mp0 -135.02 124.11 24.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 23.6 m -116.25 124.96 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 9.5 t80 -116.42 141.83 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 3.6 m80 -137.61 162.7 33.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.593 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.39 145.88 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.78 -135.9 12.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.54 175.75 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -42.78 139.3 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.03 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.5 mt-10 -73.68 122.23 22.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.4 m -154.38 113.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' HD23 ' A' ' 102' ' ' LEU . 9.7 tttp -75.01 113.06 21.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 167.17 27.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HG12 ' A' ' 101' ' ' VAL . 14.3 m -55.53 122.9 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.713 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -66.24 -29.11 69.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -155.99 89.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -67.23 157.16 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -158.18 120.96 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' HG11 ' A' ' 54' ' ' VAL . 1.6 m95 -87.07 6.34 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 3.3 m -46.88 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -88.16 -61.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.625 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -56.04 96.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.97 -156.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.601 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 64.61 -138.96 40.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -99.53 132.92 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 0.727 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.947 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 13.8 m95 -137.03 151.76 49.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.017 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -125.2 128.74 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.97 158.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -118.3 -83.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -134.21 116.45 15.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 15.2 pttt -143.4 143.56 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.073 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 92.3 m-85 -35.73 139.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.99 -170.69 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -126.99 176.85 2.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.96 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.78 27.57 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.62 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 113.05 25.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 21.0 m-85 -157.02 170.88 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.76 121.42 0.87 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -124.84 57.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 0.724 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -159.45 62.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 60' ' ' ASP . . . -150.76 178.1 28.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.3 p90 -123.46 119.26 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -132.63 121.04 22.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 6.9 mt-10 -123.19 157.78 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.27 130.6 55.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.9 m -121.92 109.18 34.05 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.9 19.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.96 120.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 53' ' ' SER . . . 68.95 45.9 61.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 3.4 mttp 74.88 -41.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -81.88 162.94 22.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 73' ' ' ALA . 4.2 m -131.81 113.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 149.29 48.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 41.4 m -121.67 117.54 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 2.9 ttt85 -112.55 139.71 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -152.95 118.84 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.983 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 2.0 p30 -155.78 -175.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.1 m -114.82 98.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.91 HD12 ' CG ' ' A' ' 67' ' ' TYR . 15.4 mt -80.66 124.15 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 6.4 m170 38.75 73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 67.04 0.56 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.66 123.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.76 114.9 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.91 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -120.77 161.98 20.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 90.9 t80 -165.37 124.2 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 ttp -139.68 107.93 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.13 170.06 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.11 160.57 19.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.7 t -115.86 146.55 41.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.684 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -97.29 112.61 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 37.4 t80 -127.1 148.29 65.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.57 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 130.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.65 -51.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -127.11 -122.35 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.71 116.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.7 m -55.28 -52.99 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -48.79 -61.16 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.713 HD13 ' HA ' ' A' ' 15' ' ' ASP . 24.3 mm -57.89 165.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 81' ' ' ILE . . . -65.12 -105.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.83 61.22 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.47 108.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.85 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.14 134.14 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' THR . 0.2 OUTLIER -105.92 125.98 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 129.53 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.703 ' HD3' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -129.73 104.38 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.624 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.6 p -89.92 145.59 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.703 HG23 ' HD3' ' A' ' 88' ' ' ARG . 4.9 t -141.14 100.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.45 -91.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -121.42 34.79 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -144.19 101.21 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.624 ' OG1' HG22 ' A' ' 89' ' ' THR . 38.3 m -107.94 129.56 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -135.88 142.6 44.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' ' CZ ' ' A' ' 85' ' ' TYR . 19.4 mtpt -95.84 113.16 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 23.3 m -93.34 140.94 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.5 t -105.02 109.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.886 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 9.5 t80 -113.2 110.05 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -96.75 107.95 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.886 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 63.3 t -74.0 104.32 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.719 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.8 mt -37.37 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.405 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -154.03 87.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.683 HG21 ' HE1' ' A' ' 17' ' ' PHE . 14.2 t -73.49 141.05 46.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.08 -14.55 46.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.649 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.7 OUTLIER 49.98 70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.43 -74.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.17 -40.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.827 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -110.19 160.23 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.947 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -128.59 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.827 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.0 tp -121.03 114.09 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.758 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -143.46 139.88 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.445 ' CD1' HG11 ' A' ' 11' ' ' VAL . 16.7 t80 -124.18 134.47 53.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 128' ' ' VAL . 3.9 t -142.95 158.97 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 124.48 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -97.13 136.8 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 5.0 t80 -84.76 140.34 31.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.78 111.0 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -74.86 -56.17 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -52.96 58.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -17.94 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.68 91.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 133.68 -141.13 12.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -155.81 172.47 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 65.0 m95 -129.68 160.18 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.455 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 15.9 t0 -105.9 105.84 16.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -110.82 94.95 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 112' ' ' GLY . 48.7 t -113.79 149.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.476 ' HD1' HD21 ' A' ' 131' ' ' LEU . 15.0 p90 -138.96 117.75 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.843 ' C ' HD23 ' A' ' 131' ' ' LEU . 97.5 t -97.53 130.85 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -105.26 160.74 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' HD13 ' A' ' 137' ' ' LEU . 4.2 t -149.8 144.76 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -48.25 -27.01 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -172.14 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 49.6 mtt -68.34 -18.05 64.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.99 136.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.653 HD23 HG11 ' A' ' 145' ' ' VAL . 7.3 tp -72.97 138.32 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.2 p -152.84 -169.91 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.24 -157.08 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -56.27 -22.05 27.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.773 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.24 -45.15 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -59.85 -27.56 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 6.9 m -74.75 -49.86 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.774 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -37.04 65.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -72.06 -57.45 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.59 -51.52 47.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.719 ' HE1' HD13 ' A' ' 102' ' ' LEU . 22.7 t80 -54.59 -49.67 69.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 145' ' ' VAL . 11.5 mt -55.79 -37.9 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 146' ' ' GLU . 81.8 mt -63.28 -49.64 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.54 27.23 21.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.745 ' HB2' HG12 ' A' ' 155' ' ' VAL . 81.2 p -78.11 139.99 61.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.706 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.98 -14.41 21.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.01 -100.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.853 HG22 HD11 ' A' ' 160' ' ' LEU . 8.4 p 29.58 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -75.1 101.19 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.1 p -58.69 -46.04 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -52.27 -41.11 62.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -76.37 -39.06 54.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.853 HD11 HG22 ' A' ' 155' ' ' VAL . 2.1 mt -46.0 166.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 58.4 t -149.65 120.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.5 m-85 -70.67 161.12 31.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' VAL . 82.7 p -39.09 158.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 174.68 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 45.8 p90 -102.64 -46.25 4.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 67.58 150.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -34.51 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.08 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -68.09 -56.73 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -53.36 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -47.82 122.84 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 176' ' ' ASN . 43.9 t -96.42 151.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 5.1 t30 -55.79 119.68 6.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 175' ' ' SER . 1.4 t-20 39.66 52.42 2.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 174' ' ' ASN . 0.3 OUTLIER 35.94 77.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.45 ' HB2' HG12 ' A' ' 172' ' ' VAL . 4.9 m-20 -104.7 44.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -71.29 172.61 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 24.7 t -126.02 50.52 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.952 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.34 154.29 73.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 182' ' ' PHE . 7.0 pt20 -140.08 -158.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.423 ' O ' ' NE2' ' A' ' 181' ' ' GLN . 4.2 t80 -148.83 172.78 14.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -135.2 129.11 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.8 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.534 HG21 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -152.24 120.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 7.8 t80 -110.89 158.47 18.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 53.5 m80 -148.16 -178.35 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.55 17.12 7.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.82 -136.96 3.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.8 -171.64 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -52.07 132.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.01 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -82.25 118.66 23.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -146.93 114.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -75.83 113.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 172.74 15.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 101' ' ' VAL . 9.4 m -55.32 135.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.571 ' HA ' HD13 ' A' ' 81' ' ' ILE . 6.2 p-10 -67.65 -40.61 84.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -154.21 90.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 134.43 52.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.09 124.61 45.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.0 m95 -86.01 8.9 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -100.83 -48.06 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -57.46 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.21 -156.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 -144.3 45.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HZ1' ' HZ2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -91.96 135.64 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 110' ' ' ILE . 10.3 m95 -137.54 170.94 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -141.72 120.69 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mt-10 -48.6 156.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.962 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -117.59 -70.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 162' ' ' TYR . . . -153.11 129.55 10.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.582 ' HE3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -153.35 170.62 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' CE2' HG21 ' A' ' 2' ' ' VAL . 2.6 m-30 -56.45 127.14 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -175.44 2.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -127.92 174.53 4.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.2 m-20 -91.93 19.87 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.23 91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -116.65 116.41 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 12.4 m-85 -169.14 170.17 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.0 109.26 0.4 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -109.37 83.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.6 p 159.03 48.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.88 177.46 18.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -118.39 124.16 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -142.11 138.78 31.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -138.61 160.65 39.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -115.7 121.16 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 94.5 m -111.35 130.79 22.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.17 17.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.09 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 69.11 85.01 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 83.76 -48.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -87.95 159.05 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 73' ' ' ALA . 32.9 m -133.83 116.38 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -71.32 147.63 47.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 66.9 t -137.73 129.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.4 p -125.96 118.38 25.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 137.41 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.09 120.45 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 111.001 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -175.03 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 170' ' ' CYS . 1.8 m -107.44 103.14 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.919 HD12 ' CG ' ' A' ' 67' ' ' TYR . 65.0 mt -86.94 129.81 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.8 m170 39.38 70.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 38.94 58.87 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -165.03 127.31 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.5 112.82 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.919 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -121.36 159.5 25.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 7.8 t80 -165.23 136.03 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.474 ' HE1' ' HD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -150.69 150.7 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 15.8 mt-10 -140.67 163.7 32.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.56 128.86 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 13.1 t -81.3 163.02 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.602 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -115.0 112.35 22.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 43.9 t80 -126.61 149.29 67.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.86 -51.07 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.11 -127.86 4.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.59 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.7 p -40.56 -48.94 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' ILE . 18.1 mttt -55.29 -72.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' ASP . 41.9 mm -40.32 161.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -62.48 -104.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 42.01 54.96 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.71 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.71 107.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.646 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -86.28 140.54 30.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER -104.89 115.7 30.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.4 104.75 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' CG ' ' HE1' ' A' ' 86' ' ' HIS . 5.1 ttp85 -100.16 120.41 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.886 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.7 p -92.21 149.22 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.1 92.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 39.73 58.03 2.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.73 -34.55 4.32 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.67 94.5 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.886 ' OG1' HG22 ' A' ' 89' ' ' THR . 4.1 m -95.88 134.49 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 138.3 54.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -95.6 100.47 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' HIS . 26.1 m -94.96 130.85 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.73 121.6 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.715 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 89.8 t80 -123.89 109.49 13.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.41 124.92 33.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 14' ' ' VAL . 55.4 t -92.3 96.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.5 mt -32.59 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.06 112.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.429 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.8 t -104.73 150.19 24.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -80.19 -3.0 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' ASP . 1.8 p-10 38.94 49.73 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -66.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -132.56 -45.27 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.911 ' HB2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -99.88 160.95 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.89 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -143.97 137.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -120.53 169.69 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.41 40.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.482 ' HA ' ' CG1' ' A' ' 128' ' ' VAL . 9.6 t80 -155.59 118.26 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 p -142.99 152.01 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 1.7 p -155.99 146.79 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -116.75 140.99 48.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -70.08 105.72 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.58 100.57 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 55.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 16.94 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 80.49 87.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.11 -131.98 3.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 2.6 p-80 -163.2 179.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 3.5 m95 -141.38 137.57 32.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.027 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.53 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 34.2 t70 -98.48 149.35 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 96.4 m-70 -159.45 102.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.8 OUTLIER -104.16 -176.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.715 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.8 p90 -151.94 141.29 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.031 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -117.71 133.25 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.031 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -118.78 146.55 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 29.7 t -149.95 157.82 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.53 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.64 174.0 11.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 ptp -64.11 -19.85 65.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.962 ' HG ' HG11 ' A' ' 29' ' ' VAL . 1.6 mt -72.19 144.26 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.791 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.5 p -154.53 -172.18 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 34.65 -151.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.69 -25.62 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.29 -41.52 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.1 m -62.38 -48.33 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -45.27 74.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 137' ' ' LEU . 0.5 OUTLIER -72.0 -42.15 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.6 -57.58 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.51 -53.68 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 1.055 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 10.9 t80 -56.22 -50.67 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 157' ' ' SER . 44.0 mt -55.6 -57.43 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 88.2 mt -39.69 -49.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.83 41.03 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -68.8 113.18 14.33 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.745 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -17.9 19.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 153' ' ' PRO . 5.2 m -161.45 -41.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 1.055 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 2.3 p -53.06 94.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -77.87 112.34 14.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.8 p -67.48 -45.09 76.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -52.5 -34.12 48.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -83.48 -39.98 19.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.791 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.2 mt -46.61 171.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 7.9 t -145.36 145.48 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.63 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 2.1 m-85 -100.91 162.55 12.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 162' ' ' TYR . 13.9 m -36.28 153.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 162.77 87.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.5 p90 -114.5 -49.26 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 79.85 141.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -34.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.37 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -60.96 -58.01 10.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.601 ' O ' HG23 ' A' ' 172' ' ' VAL . 7.0 m -61.66 -51.29 69.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.89 113.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 170' ' ' CYS . 85.7 t -99.53 149.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.53 119.02 11.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 m120 58.95 169.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t 71.77 -71.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 66.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -178.12 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.042 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.0 t 65.86 141.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.36 150.95 56.75 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.573 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.53 11.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -141.48 -158.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' PHE . . . . . 0.406 ' CG ' ' N ' ' A' ' 183' ' ' GLU . 50.8 t80 -150.16 171.02 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 182' ' ' PHE . 0.6 OUTLIER -134.15 124.72 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.6 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 126' ' ' ASP . 27.6 m -141.21 105.19 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -110.38 148.44 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.493 ' O ' ' CE ' ' A' ' 121' ' ' LYS . 4.0 m80 -148.25 163.67 36.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.633 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.6 17.69 19.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.52 -134.26 4.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.619 ' C ' ' CE1' ' A' ' 124' ' ' HIS . . . -136.5 152.78 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.63 ' N ' ' CE1' ' A' ' 124' ' ' HIS . 0.0 OUTLIER -34.52 137.94 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -86.16 147.43 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 ' CE1' ' A' ' 113' ' ' TYR . 3.7 m -162.56 110.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -68.15 111.06 6.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.05 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.801 HG13 HG12 ' A' ' 101' ' ' VAL . 4.8 m -56.56 135.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -66.04 -41.41 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -156.25 94.79 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.775 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.98 129.59 40.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.12 116.07 24.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.472 ' CE3' HG21 ' A' ' 54' ' ' VAL . 11.7 m95 -71.35 -11.81 61.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.9 m -48.75 -46.73 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 106' ' ' ASN . 2.0 pm0 -120.41 61.68 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.744 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 175.38 84.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.38 -168.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -140.02 27.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -86.24 121.31 28.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 14.6 m95 -136.48 122.71 20.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 10.0 m0 -104.17 135.45 45.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -55.97 154.45 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.887 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -111.78 -82.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -136.39 118.51 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.704 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -135.56 170.01 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 13.2 m-85 -60.19 138.45 91.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -73.53 177.96 1.78 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.0 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -94.92 20.93 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.78 75.7 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.3 124.19 49.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 62' ' ' ILE . 15.4 m-85 -154.37 177.01 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.45 120.74 0.53 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 163' ' ' SER . 0.1 OUTLIER -95.29 -138.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.0 m 45.39 52.07 9.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -117.49 177.63 16.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -153.89 118.43 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.06 165.74 21.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.75 159.79 39.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.88 ' CD2' HG22 ' A' ' 56' ' ' VAL . 4.6 m-85 -121.75 134.59 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -110.43 109.59 58.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.37 5.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.52 54.31 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.57 -171.44 13.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -46.78 -31.27 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -94.38 155.41 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CE3' ' A' ' 19' ' ' TRP . 7.8 m -130.77 117.41 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -63.43 148.93 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.88 HG22 ' CD2' ' A' ' 47' ' ' TYR . 59.4 t -136.03 134.15 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.54 118.32 19.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 135.32 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.21 120.32 5.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 p30 -159.79 -174.51 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.597 HG11 HG22 ' A' ' 172' ' ' VAL . 48.6 t -109.5 138.1 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.867 HD12 ' CG ' ' A' ' 67' ' ' TYR . 33.1 mt -126.97 117.28 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLY . 6.7 m170 40.28 78.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 54.42 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.4 113.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.14 120.09 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.867 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -116.44 159.71 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 27.9 t80 -165.72 138.46 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.83 141.17 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 174.84 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.23 179.58 39.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -134.87 138.39 44.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -94.68 122.25 37.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 27.2 t80 -133.96 148.22 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.616 HG23 ' HD2' ' A' ' 85' ' ' TYR . 1.1 t -61.02 -50.24 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.43 -124.96 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 111.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -45.15 -47.59 12.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ILE . 4.1 mptt -56.34 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.63 156.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.51 -108.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.17 56.01 7.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.73 107.62 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.616 ' HD2' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -90.56 141.05 29.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -107.51 134.06 51.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -86.75 104.72 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.963 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 114.74 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.954 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -93.49 144.68 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.08 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' GLY . 35.0 t -141.11 94.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.68 -80.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -138.26 33.4 2.24 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -141.47 96.38 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.954 ' OG1' HG22 ' A' ' 89' ' ' THR . 53.9 m -93.96 128.39 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -131.91 135.35 46.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.9 mptt -95.02 106.96 18.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 86' ' ' HIS . 15.2 t -92.92 137.75 32.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.3 t -87.03 125.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 22.5 t80 -124.61 108.99 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.97 102.9 15.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.801 HG12 HG13 ' A' ' 14' ' ' VAL . 24.2 t -72.85 101.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' VAL . 3.7 mt -38.07 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.41 111.72 3.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.515 HG21 ' CE1' ' A' ' 17' ' ' PHE . 11.8 t -106.7 136.07 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 4.2 t0 -74.17 -4.23 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 21' ' ' GLN . 3.1 p30 41.61 73.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -78.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.799 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -124.36 -38.43 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.558 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -105.26 154.2 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.792 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -142.47 141.01 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.682 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -122.9 136.39 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -131.53 171.31 21.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.953 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -161.54 133.45 5.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.43 -176.52 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.2 p -156.87 162.89 39.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -139.73 109.41 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.99 131.35 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.15 98.91 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.98 -13.54 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.72 -52.02 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -99.48 -7.02 26.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 88.5 -50.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -60.01 -139.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.63 ' CE1' ' N ' ' A' ' 8' ' ' CYS . 9.4 p-80 -164.13 178.25 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.9 m95 -131.94 159.79 37.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' A' ' 2' ' ' VAL . 14.8 t70 -119.18 140.98 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.19 134.25 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -135.29 179.38 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.753 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 p90 -142.84 128.29 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.949 ' C ' HD23 ' A' ' 131' ' ' LEU . 84.8 t -101.85 135.73 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.949 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -111.06 156.54 21.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.534 ' HB3' HD13 ' A' ' 137' ' ' LEU . 6.4 p -146.4 145.59 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -50.07 -54.32 21.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.5 m -105.52 -165.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.504 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.72 -21.27 60.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.404 HG12 HG22 ' A' ' 138' ' ' THR . 2.1 t -131.45 150.06 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 HG11 ' A' ' 145' ' ' VAL . 2.7 tp -75.81 131.16 39.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.75 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -150.55 -169.66 3.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 141' ' ' ALA . . . 42.92 -166.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -47.09 -23.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -54.78 -35.53 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.409 ' O ' HG12 ' A' ' 145' ' ' VAL . 10.7 mtpt -68.89 -25.57 64.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.2 m -75.98 -52.59 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.17 -40.31 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.606 HG11 HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.34 -37.3 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -56.34 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.85 -49.71 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.941 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 20.5 t80 -56.18 -52.91 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.5 mt -55.14 -56.99 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -40.69 -47.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.38 39.53 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.571 ' HB2' HG13 ' A' ' 155' ' ' VAL . 6.0 p -71.72 123.09 88.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.686 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.3 Cg_endo -75.07 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.443 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -114.12 -34.43 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 1.8 p -54.92 92.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.537 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.8 115.89 14.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 160' ' ' LEU . 7.4 p -74.37 -48.43 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -52.9 -19.82 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -99.07 -38.65 8.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 157' ' ' SER . 3.5 mt -45.55 170.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 65.3 t -144.37 119.77 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -76.5 162.47 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 86.1 p -40.56 162.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 m-20 156.83 100.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 166' ' ' SER . 24.1 p90 -108.98 -52.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.488 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 74.02 149.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -45.2 -35.52 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.54 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -82.62 -56.89 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -57.56 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.5 OUTLIER -66.93 119.05 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.597 HG22 HG11 ' A' ' 61' ' ' VAL . 12.9 t -98.7 146.31 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -73.34 107.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.89 167.21 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.52 168.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 40.73 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -82.14 174.93 10.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.95 79.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -144.5 125.67 7.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.599 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.72 34.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -149.16 -164.77 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.45 167.67 21.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.37 129.34 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.2 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m -84.67 120.95 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CE3' ' A' ' 125' ' ' TRP . 4.3 t80 -105.34 139.71 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -138.3 158.93 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -104.3 143.55 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 91.59 -140.08 15.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.29 -168.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 155.69 61.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 11' ' ' VAL . 10.1 mt-10 -82.17 124.68 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.6 m -161.52 112.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -76.19 113.0 24.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.06 166.16 29.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.678 HG21 ' CD2' ' A' ' 17' ' ' PHE . 11.6 m -48.62 126.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.9 p-10 -64.76 -37.11 86.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -156.85 87.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.739 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.74 154.08 41.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -121.68 120.6 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.434 ' CH2' HG21 ' A' ' 84' ' ' ILE . 33.4 m95 -69.42 -27.98 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -57.43 -67.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -56.04 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -44.96 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -170.49 -174.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.41 -133.61 12.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 5.8 mtmt -94.91 141.83 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.794 ' CE3' HD12 ' A' ' 110' ' ' ILE . 39.3 m95 -151.68 116.28 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 135' ' ' MET . 0.1 OUTLIER -97.8 141.27 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 33.9 mt-10 -64.29 156.19 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.934 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -121.51 -85.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -120.75 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -142.24 149.96 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -49.25 132.78 16.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.47 169.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.69 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.75 1.93 24.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 78.4 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 17.6 mttm -130.03 136.33 49.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 18.7 m-85 -166.13 173.44 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.66 119.72 0.71 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 19.6 ttpt -107.67 69.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 41' ' ' LYS . 52.8 m -160.36 49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.06 177.22 30.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -132.32 158.36 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -146.96 100.83 3.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.25 156.4 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.6 m-85 -118.78 129.97 55.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.7 m -119.22 109.31 39.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 129.76 12.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.5 124.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 78.48 34.19 36.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER 82.06 -44.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.06 168.77 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 73' ' ' ALA . 14.9 m -125.7 112.0 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 149.25 49.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 47' ' ' TYR . 41.6 t -138.57 128.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.5 m -120.89 117.74 28.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -109.72 138.31 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -153.44 119.65 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -155.09 -174.81 5.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.5 p -124.72 98.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' CB ' ' A' ' 67' ' ' TYR . 4.1 mt -81.96 124.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER 39.14 75.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.81 51.78 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.23 118.69 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.0 118.31 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CB ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -121.72 163.2 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -165.03 141.96 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 122.04 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.17 168.58 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 178.1 159.98 23.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -122.68 137.43 54.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.372 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -90.88 125.18 35.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.621 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 58.8 t80 -142.25 148.68 48.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.621 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 133.78 17.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -81.01 -49.31 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.43 -131.42 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.1 m-20 -44.6 107.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 1.8 m -38.96 -60.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -66.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 15' ' ' ASP . 3.5 mm -49.31 159.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.07 -110.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.34 57.43 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -105.19 112.56 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -92.29 141.12 28.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -112.7 127.28 56.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 118.14 21.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.96 107.6 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.65 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.4 p -86.11 149.13 25.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' GLY . 84.5 t -149.76 94.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.7 -89.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -125.88 35.65 2.95 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -145.42 93.07 2.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 0.788 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.65 ' CG2' HG22 ' A' ' 89' ' ' THR . 74.4 m -110.9 126.44 54.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 146.45 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.92 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 89.1 m -97.97 129.21 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.459 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 85' ' ' TYR . 5.9 p -91.23 125.47 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 84.1 t80 -119.64 111.48 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -85.03 115.34 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 17' ' ' PHE . 53.9 t -89.04 105.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 HG12 ' A' ' 11' ' ' VAL . 10.1 mt -39.5 -90.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.35 66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.774 HG23 HD22 ' A' ' 106' ' ' ASN . 0.0 OUTLIER -50.3 160.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.1 -18.94 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.774 HD22 HG23 ' A' ' 104' ' ' THR . 0.5 OUTLIER 53.49 42.54 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -45.41 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.871 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -154.04 -45.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.81 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -106.69 153.32 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.794 HD12 ' CE3' ' A' ' 26' ' ' TRP . 1.1 mt -122.74 122.42 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.81 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.7 tp -103.84 116.57 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -135.37 -179.79 16.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.574 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 11.4 t80 -167.39 122.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 15.7 p -144.86 149.53 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 12.2 p -154.42 131.65 11.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.2 137.4 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 37.7 t80 -71.82 131.94 43.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -143.96 99.55 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.13 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -61.97 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -113.47 -48.12 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 169.43 82.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.67 -138.74 7.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.2 p80 -156.29 177.45 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.415 ' CE3' ' CD1' ' A' ' 3' ' ' TYR . 9.6 m95 -121.34 163.01 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.023 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.65 141.32 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -152.64 102.97 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.61 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 129' ' ' TRP . 11.9 p -107.62 164.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.77 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 7.2 p90 -133.63 119.28 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.942 ' C ' HD23 ' A' ' 131' ' ' LEU . 95.9 t -93.96 132.57 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.942 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -110.79 158.37 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.566 ' OG ' HG13 ' A' ' 29' ' ' VAL . 15.6 p -149.98 129.86 13.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -35.84 -55.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -101.6 -178.43 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.511 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 7.3 ptt? -62.07 -23.37 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.86 150.9 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.599 ' HB2' HG11 ' A' ' 29' ' ' VAL . 5.8 tp -74.71 136.37 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.9 p -151.81 -166.37 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.66 -156.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.17 -20.52 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.871 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -53.88 -47.29 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -57.81 -34.47 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.0 m -70.18 -46.54 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.777 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.7 -38.24 69.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.88 -34.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.15 -57.93 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -49.6 -54.13 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 111' ' ' ILE . 21.1 t80 -55.87 -49.65 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.0 mt -56.73 -44.62 81.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.55 -49.33 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.36 35.9 4.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.51 ' HB2' ' CG1' ' A' ' 155' ' ' VAL . 23.6 p -78.09 139.99 61.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.744 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.06 -14.25 21.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.28 -105.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.715 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.8 p 24.06 88.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.58 105.41 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.938 ' HA ' HD12 ' A' ' 160' ' ' LEU . 14.2 p -61.63 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -52.42 -21.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -44.19 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.0 mt -50.99 176.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.592 HG21 ' HG3' ' A' ' 33' ' ' PRO . 90.6 t -149.78 118.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -68.03 161.13 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 59.0 m -39.25 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.93 98.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 24.9 p90 -121.31 -47.77 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 73.06 148.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -33.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.56 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.15 -56.79 15.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.452 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -57.3 -49.62 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.67 123.21 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 170' ' ' CYS . 18.6 t -108.94 140.92 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -78.47 108.67 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.5 176.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.45 -78.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -104.02 62.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 178.19 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.52 87.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -143.31 129.71 10.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.442 1.759 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -156.54 -160.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.3 164.42 28.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -134.96 126.36 28.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 27.1 tptt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' A' ' 4' ' ' HIS . 9.7 m -137.49 132.01 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.597 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 55.7 t80 -97.31 147.14 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 1.1 m-70 -150.12 169.42 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.35 146.37 28.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.2 -132.16 11.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.92 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -43.99 140.08 2.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.26 117.46 17.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 102' ' ' LEU . 2.3 m -150.88 111.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -75.47 112.52 19.46 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.94 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.776 HG13 HG12 ' A' ' 101' ' ' VAL . 16.6 m -55.56 134.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 81' ' ' ILE . 9.4 p-10 -66.41 -43.66 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -150.89 92.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.669 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -67.61 135.97 53.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.9 117.9 31.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 54' ' ' VAL . 71.2 m95 -73.26 -22.33 60.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 107.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -47.45 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 3.0 pm0 -71.25 -95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.579 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -36.1 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -173.92 -172.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.64 -147.98 33.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 126.17 37.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.6 m95 -127.41 143.72 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 42' ' ' CYS . 11.2 m0 -117.82 134.62 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.74 152.01 43.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.035 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -123.63 -89.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -103.11 82.05 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 166.93 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 5.1 m-85 -76.2 152.8 84.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.651 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 2.99 5.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER 80.62 171.76 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLY . 35.2 t30 -90.4 24.27 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.49 46.55 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 30.1 ttpt -129.74 123.61 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.651 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 37.9 p90 178.88 179.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.62 171.22 38.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -118.7 -148.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER 39.86 57.48 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.28 175.5 15.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.9 p90 -138.75 120.24 14.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . -142.06 127.38 18.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -116.76 161.16 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.12 126.76 49.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m -118.43 110.15 39.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 134.57 17.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.27 113.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 88.47 27.44 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 88.8 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.48 179.68 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.507 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.1 m -139.2 119.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.39 148.88 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.59 129.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 4.5 p -131.58 120.37 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -120.72 135.8 55.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -153.56 120.49 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -159.23 -174.8 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.764 HG12 ' OE2' ' A' ' 66' ' ' GLU . 3.5 m -115.71 122.36 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.09 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -80.58 151.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' ILE . 28.4 m80 -35.89 87.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 71.24 53.88 9.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -173.96 169.5 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.764 ' OE2' HG12 ' A' ' 61' ' ' VAL . 1.1 mm-40 -130.13 112.87 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.09 ' CD1' HD12 ' A' ' 62' ' ' ILE . 17.0 p90 -129.1 152.09 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -160.61 108.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.77 140.32 49.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -127.83 164.92 21.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 87' ' ' SER . . . 179.61 -140.44 4.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 5.1 t -158.88 156.11 28.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -107.2 118.22 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.8 t80 -130.29 148.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.04 122.08 6.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.816 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -66.75 -50.56 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -117.2 -131.4 4.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.85 124.16 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 p -51.52 -47.72 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -55.23 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -40.39 161.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.96 -104.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.99 61.52 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -106.79 107.18 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.816 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -80.77 135.21 35.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.5 m80 -106.39 124.54 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.58 143.64 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.33 104.3 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.623 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.6 p -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.3 p -148.2 133.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.53 -101.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.27 35.95 3.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 140.04 32.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.623 ' OG1' HG22 ' A' ' 89' ' ' THR . 6.7 m -127.1 126.0 42.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -126.52 138.25 53.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.62 120.5 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 86' ' ' HIS . 2.0 m -102.93 138.23 40.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 76' ' ' VAL . 64.8 t -99.18 128.45 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.795 ' CE2' ' CZ2' ' A' ' 129' ' ' TRP . 37.7 t80 -129.6 109.73 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -91.29 102.57 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 14' ' ' VAL . 10.0 t -73.08 102.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 11' ' ' VAL . 6.4 mt -37.25 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.58 101.78 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.6 t -94.78 152.93 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.44 -12.17 46.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER 49.24 47.45 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.03 -67.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -130.24 -43.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 1.025 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -108.59 159.6 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.613 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -135.68 136.99 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.553 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -117.5 127.11 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 1.002 ' O ' HG23 ' A' ' 128' ' ' VAL . . . -149.45 116.11 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.485 ' CZ ' ' CG ' ' A' ' 126' ' ' ASP . 20.8 t80 -100.33 124.15 45.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.586 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -127.59 160.82 30.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -156.54 130.76 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -102.3 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 3.8 t80 -93.73 127.59 39.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -104.36 125.02 50.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -55.37 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.32 -59.18 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 117' ' ' TYR . 0.0 OUTLIER 77.51 -56.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.36 -154.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.107 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -143.25 178.14 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 17.4 m95 -143.63 130.88 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -95.55 152.65 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 47.7 m80 -164.61 96.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 112' ' ' GLY . 7.2 p -97.36 146.01 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.795 ' CZ2' ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -122.29 147.47 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -120.44 124.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 129' ' ' TRP . 9.5 mt -103.92 157.15 17.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.509 ' OG ' HG13 ' A' ' 29' ' ' VAL . 36.9 p -149.99 129.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -38.3 -51.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -106.54 176.47 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -24.84 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.436 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 1.4 t -152.17 128.23 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.15 144.52 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.471 ' HA ' ' CD ' ' A' ' 142' ' ' LYS . 9.6 p -144.41 171.68 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.06 -140.21 39.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -54.58 -30.24 53.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -60.58 -39.01 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 138' ' ' THR . 1.2 mtpm? -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 9.0 m -68.19 -32.71 73.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.434 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 1.025 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.0 -45.78 75.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.02 -44.03 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 2.5 mm-40 -58.16 -57.58 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -49.68 -51.11 40.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.851 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 5.0 t80 -54.25 -55.4 28.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.38 -42.72 82.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mt -51.98 -43.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.42 32.05 5.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 148' ' ' TYR . 10.3 p -78.59 146.26 69.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.805 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.0 -17.85 19.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -165.95 -101.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.853 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p 26.8 87.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 1.8 p30 -80.66 99.65 8.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.92 ' HA ' HD12 ' A' ' 160' ' ' LEU . 1.4 p -48.3 -37.73 17.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -54.61 -18.76 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -96.62 -45.85 6.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.2 mt -48.5 177.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 73.1 t -150.32 119.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 163' ' ' SER . 1.3 m-85 -75.11 156.5 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 162' ' ' TYR . 74.5 m -36.87 117.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -170.09 49.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 166' ' ' SER . 42.3 p90 -63.64 -50.27 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.584 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.14 149.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.96 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.1 OUTLIER -45.81 -36.44 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.93 65.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -84.71 -56.79 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.554 ' O ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -64.47 -78.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.9 tttt -48.65 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.546 HG23 ' HA2' ' A' ' 64' ' ' GLY . 14.6 p -89.21 149.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.446 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 5.0 p30 -83.95 103.41 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 173' ' ' ASN . 1.0 OUTLIER 172.2 172.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 p -80.48 68.14 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -99.76 64.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 164.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.8 m 63.99 92.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.37 125.87 7.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -145.21 -166.57 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.97 151.87 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.28 129.19 33.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 3.2 mptt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' CE3' ' A' ' 125' ' ' TRP . 1.6 m -151.9 94.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -115.16 143.56 45.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -153.0 163.7 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.625 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -116.47 139.51 50.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.4 -136.39 20.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 179.86 5.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 m -45.36 152.71 0.62 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.602 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.848 ' O ' HG13 ' A' ' 11' ' ' VAL . 5.3 mt-10 -66.51 118.45 10.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.4 m -165.88 110.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -76.8 112.3 21.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -74.95 -178.6 4.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HG12 ' A' ' 101' ' ' VAL . 25.3 m -54.68 132.7 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -42.44 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -157.11 82.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.971 ' CZ ' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -66.37 150.01 49.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.24 135.97 54.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 54' ' ' VAL . 37.6 m95 -77.13 -25.71 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.026 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.51 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 3.8 m -58.96 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' NE2' ' CG ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -58.64 -101.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.813 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -48.01 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -177.16 -171.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.47 34.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 127.13 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.988 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.4 m95 -139.44 150.64 45.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.11 162.68 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.31 152.4 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.965 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -130.47 -96.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -91.67 81.29 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 146.16 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.659 ' CD1' HD23 ' A' ' 160' ' ' LEU . 2.7 m-85 -62.16 135.93 95.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -138.89 178.83 1.49 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.11 2.04 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.26 79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -124.52 117.36 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 81.5 m-85 -164.95 168.65 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.55 123.16 0.87 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -146.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.6 m 59.42 57.65 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -145.23 176.5 24.23 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -154.97 132.78 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -134.12 126.3 29.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 158.73 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD2' HG22 ' A' ' 56' ' ' VAL . 6.8 m-85 -112.45 125.96 54.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 m -101.94 109.92 60.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.97 120.62 6.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.99 49.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.64 -168.19 13.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.47 -29.62 10.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -98.77 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.047 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -133.0 118.76 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.8 149.4 46.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 47' ' ' TYR . 35.8 t -139.45 132.03 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -127.58 118.74 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.38 141.98 35.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -151.18 124.47 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.522 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -171.47 -175.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.64 123.48 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.073 HD12 ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -89.25 106.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER 34.51 44.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.609 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.43 34.56 9.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -139.88 100.86 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.47 111.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.073 ' CG ' HD12 ' A' ' 62' ' ' ILE . 32.0 p90 -128.12 147.98 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -151.91 113.73 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttm -120.3 123.51 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.8 165.23 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -178.07 -171.22 41.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.0 OUTLIER -142.75 143.51 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.379 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -102.33 128.44 48.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 36.0 t80 -145.73 149.55 40.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.23 -51.25 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -121.17 -126.51 3.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.56 115.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.3 p -46.43 -46.08 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.75 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.16 -104.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG2' ' CG1' ' A' ' 76' ' ' VAL . 2.1 tttt 45.2 55.3 6.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -104.82 106.95 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.2 p90 -86.76 141.79 28.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.4 OUTLIER -113.54 125.34 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.556 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.79 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.91 106.31 10.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.518 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.5 p -84.96 149.41 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.3 t -150.29 96.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.11 -94.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.95 36.18 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.24 97.99 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.518 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.8 m -107.13 124.95 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -134.38 143.37 47.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.48 110.48 22.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.3 m -92.8 135.54 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.99 124.83 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.736 ' CE1' ' CE2' ' A' ' 129' ' ' TRP . 24.6 t80 -121.46 110.69 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.26 111.16 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 14' ' ' VAL . 54.5 t -81.21 95.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 11' ' ' VAL . 2.7 mt -36.24 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.426 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -152.92 95.82 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 8.8 t -90.82 144.03 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 18.2 m-20 -90.56 -8.93 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.456 ' CG ' ' NE2' ' A' ' 21' ' ' GLN . 1.8 p-10 41.86 32.76 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -48.82 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.671 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -150.05 -44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.974 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 p90 -108.7 148.82 29.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.988 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -118.69 123.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.607 HD13 ' CE2' ' A' ' 109' ' ' TYR . 1.2 tp -108.83 120.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.558 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -137.16 160.41 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.755 ' CD2' HG21 ' A' ' 11' ' ' VAL . 1.3 t80 -133.74 124.61 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 t -128.25 170.16 13.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 124' ' ' HIS . 4.7 m -156.37 134.56 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 5.6 ptm180 -107.38 113.02 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 2.3 t80 -65.27 125.34 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.456 ' OD2' ' NE1' ' A' ' 125' ' ' TRP . 19.3 p-10 -113.88 98.57 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -19.99 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.05 -59.82 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 5.57 48.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.1 mttt 77.93 -53.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.37 -137.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 115' ' ' CYS . 1.2 p-80 -157.67 172.61 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CE3' ' O ' ' A' ' 2' ' ' VAL . 84.4 m95 -120.77 163.47 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.453 ' CB ' ' HB ' ' A' ' 2' ' ' VAL . 64.0 t0 -93.16 137.22 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -175.17 98.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 129' ' ' TRP . 4.9 p -121.27 179.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.736 ' CE2' ' CE1' ' A' ' 99' ' ' PHE . 12.5 p90 -133.66 141.68 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.006 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.037 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -113.8 139.62 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.037 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.81 159.1 21.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 2.9 t -150.0 150.48 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.9 mtt180 -48.24 -51.78 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -103.43 -172.54 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.66 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.93 153.96 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.805 HD11 HG21 ' A' ' 145' ' ' VAL . 4.9 mt -73.34 139.91 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.671 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 8.0 p -152.95 -168.94 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 37.55 -158.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -24.95 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.671 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -51.92 -43.47 63.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -59.01 -37.83 77.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.1 m -75.85 -37.39 59.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.974 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.97 -46.25 75.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.805 HG21 HD11 ' A' ' 137' ' ' LEU . 2.1 t -70.52 -47.05 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -54.29 -57.03 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.45 -54.13 41.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 111' ' ' ILE . 8.1 t80 -55.78 -49.62 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 157' ' ' SER . 57.6 mt -55.82 -56.4 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 146' ' ' GLU . 93.7 mt -41.44 -49.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.83 36.21 3.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.583 ' CB ' HG13 ' A' ' 155' ' ' VAL . 23.7 p -75.23 123.37 88.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.23 5.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' ASP . 3.3 m -143.86 -43.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.77 92.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.5 OUTLIER -82.46 101.02 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.874 ' HA ' HD12 ' A' ' 160' ' ' LEU . 21.1 p -46.97 -42.7 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.57 -19.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -92.3 -47.47 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.6 mt -50.8 173.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.5 t -150.7 127.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.3 156.0 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' VAL . 11.3 p -42.17 163.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 p30 161.03 111.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 14.1 p90 -117.17 -52.96 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER 76.2 147.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -44.9 -36.94 3.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.54 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -83.39 -56.8 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -48.77 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -51.34 112.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.4 t -91.38 143.27 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.32 102.65 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.7 OUTLIER 54.65 172.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 174' ' ' ASN . 0.3 OUTLIER 82.55 -71.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.31 56.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.51 ' C ' ' CD1' ' A' ' 177' ' ' TRP . 0.0 OUTLIER -75.28 168.43 20.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.5 m 65.14 96.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -118.34 162.95 27.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.46 12.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.444 1.76 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLN . . . . . 0.544 ' HB3' ' CE1' ' A' ' 179' ' ' HIS . 11.9 pt20 -155.02 -155.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -73.93 171.26 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -135.28 129.11 33.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.1 tptp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 126' ' ' ASP . 31.1 m -128.05 141.17 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 26.1 t80 -106.76 148.32 28.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 12.6 m-70 -156.58 166.62 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -109.9 146.72 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.76 -134.04 12.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.82 -177.67 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -48.65 145.93 5.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.8 mt-10 -75.82 117.5 17.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.504 ' CB ' HD21 ' A' ' 102' ' ' LEU . 2.7 m -151.9 114.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -72.07 112.44 14.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.03 161.85 38.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 17' ' ' PHE . 15.7 m -48.01 123.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -32.35 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -154.99 83.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CD1' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -65.95 146.05 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.61 123.76 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.549 ' HH2' HG21 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -87.25 7.27 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -46.3 -37.22 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -69.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -44.84 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -175.89 -164.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.85 -147.95 47.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 134.9 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.0 m95 -139.11 132.31 29.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -101.77 131.57 47.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 108.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 pp20? -57.8 161.24 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.021 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.83 -86.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -118.59 112.92 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -137.21 147.7 46.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' N ' HD23 ' A' ' 160' ' ' LEU . 20.8 m-85 -38.61 160.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 5.65 3.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 68.52 166.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.5 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.52 8.38 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.02 44.17 50.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -125.8 -172.2 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 62' ' ' ILE . 46.0 m-85 -155.51 170.3 22.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.59 121.86 1.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.597 ' CB ' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -140.03 -169.18 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.69 23.29 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.42 175.8 23.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -141.64 123.04 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -121.06 104.2 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -98.91 159.04 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.772 ' CD2' HG22 ' A' ' 56' ' ' VAL . 34.4 m-85 -123.02 126.81 47.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 m -104.26 110.42 64.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 118.98 5.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.03 51.55 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.96 -171.09 13.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -30.86 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -92.79 161.93 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.513 HG21 ' CE3' ' A' ' 19' ' ' TRP . 30.4 m -135.5 120.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -66.28 148.74 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' CD2' ' A' ' 47' ' ' TYR . 49.0 t -137.41 124.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.45 118.19 28.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -112.74 135.04 53.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -153.38 120.23 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 p30 -156.14 -173.95 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.929 HG21 HG22 ' A' ' 172' ' ' VAL . 11.4 p -124.22 134.95 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.933 HD12 ' CD1' ' A' ' 67' ' ' TYR . 71.2 mt -127.87 113.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 38.42 78.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.89 49.83 5.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 108.54 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.15 112.33 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.933 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -88.41 160.35 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 5.2 t80 -165.76 146.73 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -173.82 123.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 36.5 mt-10 -128.1 165.64 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 156.06 130.38 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.3 t -73.05 165.91 24.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -118.56 114.13 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 47.1 t80 -132.78 148.18 68.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 135.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -79.83 -51.42 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -113.11 -131.71 5.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.51 114.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -41.96 -58.51 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -47.39 -61.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -50.95 157.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 14' ' ' VAL . . . -61.66 -107.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 44.05 54.08 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.549 HG21 ' HH2' ' A' ' 19' ' ' TRP . 1.1 mp -97.03 108.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.737 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -84.09 136.58 33.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.803 ' O ' HG22 ' A' ' 97' ' ' THR . 16.2 m80 -106.5 121.84 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -84.79 107.93 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 26.5 ptt180 -104.41 119.24 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.1 p -102.26 142.14 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 90' ' ' VAL . 12.3 t -140.94 90.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.78 -90.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -119.08 28.93 6.4 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t80 -141.71 93.53 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.744 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.604 ' CG2' HG22 ' A' ' 89' ' ' THR . 94.5 m -106.95 139.25 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -147.1 141.11 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.97 109.98 22.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 86' ' ' HIS . 14.9 t -92.88 149.29 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.7 t -103.26 130.78 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 114' ' ' SER . 42.1 t80 -133.16 110.51 10.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -97.46 108.98 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 14' ' ' VAL . 76.7 t -77.26 102.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD21 ' CB ' ' A' ' 11' ' ' VAL . 6.9 mt -34.57 -86.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -158.71 100.81 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.947 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.462 HG23 ' OD1' ' A' ' 106' ' ' ASN . 5.0 t -89.27 155.97 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -91.14 -33.4 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.462 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.2 m-80 65.24 39.54 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -55.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -140.64 -48.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.76 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -104.45 157.69 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.719 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -133.57 126.19 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.1 tp -103.42 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 128' ' ' VAL . . . 175.11 172.12 39.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 19.8 t80 -167.03 114.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 44.3 t -126.25 169.62 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' TRP . 0.5 OUTLIER -156.92 131.14 8.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 108.33 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -98.93 136.74 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 116' ' ' ARG . 4.6 t80 -73.47 141.81 46.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.36 117.21 24.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -59.89 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.47 -61.13 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -67.6 -19.29 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.24 -57.15 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.94 -153.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -140.68 177.05 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.8 m95 -140.29 137.24 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HB3' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -99.41 101.55 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -117.06 101.2 8.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 14.7 p -116.78 170.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.685 ' HD1' HD21 ' A' ' 131' ' ' LEU . 5.4 p90 -138.46 131.03 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.021 HG12 HG23 ' A' ' 29' ' ' VAL . 97.9 t -94.59 135.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.971 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -112.11 159.66 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.617 ' HB2' HD13 ' A' ' 137' ' ' LEU . 2.9 t -150.09 142.14 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 108' ' ' ASN . 24.7 ttp180 -48.28 -27.09 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 -178.9 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -30.66 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.23 145.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 132' ' ' SER . 6.9 tp -74.96 143.75 43.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.6 p -152.78 -165.94 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 35.92 -154.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.05 23.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.01 -47.43 68.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' A' ' 137' ' ' LEU . 6.1 mtmt -58.62 -39.45 80.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 96.1 m -67.77 -45.94 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.17 -43.56 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.596 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.44 -41.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.43 -58.01 9.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.53 -52.33 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.816 ' CE2' HD11 ' A' ' 111' ' ' ILE . 1.9 t80 -52.91 -53.85 43.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.39 -39.28 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.46 -41.28 80.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.01 -3.16 89.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 148' ' ' TYR . 18.7 m -75.48 135.94 71.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 152' ' ' SER . 18.3 Cg_endo -74.99 -23.23 14.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 155' ' ' VAL . 16.3 m -141.19 -123.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.562 ' CG2' HD11 ' A' ' 160' ' ' LEU . 3.1 p 35.78 84.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.23 104.11 11.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.915 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.1 p -56.11 -39.9 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -53.45 -22.51 7.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -45.79 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.915 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -48.79 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 56.1 t -147.43 129.53 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 163' ' ' SER . 3.9 m-85 -74.0 161.93 29.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 89.8 p -38.23 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.5 OUTLIER 161.44 92.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.672 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.2 p90 -120.68 -50.04 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 82.53 149.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -34.34 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.04 67.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -81.64 -57.7 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 24.1 t -48.47 -45.64 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 108.353 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -56.67 125.03 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.929 HG22 HG21 ' A' ' 61' ' ' VAL . 91.9 t -105.14 149.32 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 82.7 m-20 -78.51 102.79 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.7 OUTLIER 39.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.94 -51.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -148.51 47.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -48.45 172.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.38 171.84 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 116.12 64.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.8 3.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -143.01 -157.15 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -156.67 145.85 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -135.21 129.14 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 10.9 tptt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.21 123.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -105.81 111.0 23.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 22.9 m-70 -99.98 165.45 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.44 144.58 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.26 -140.58 19.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.54 -173.7 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.36 137.21 3.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.8 111.98 16.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 113' ' ' TYR . 2.7 m -141.51 110.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.23 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -76.92 113.27 28.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.784 HG13 HG12 ' A' ' 101' ' ' VAL . 20.4 m -56.02 138.99 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.14 -41.06 90.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -160.61 90.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.769 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.52 132.69 48.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' HB2' ' NE2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -107.91 111.66 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.625 ' CE3' HG21 ' A' ' 54' ' ' VAL . 64.1 m95 -62.91 -20.37 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m -48.4 -65.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 2.9 pm0 -72.49 -99.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -36.7 101.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.48 -156.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.04 -130.91 42.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 136.1 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.7 m95 -138.98 149.88 45.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -122.52 145.87 47.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 mt-10 -74.64 147.0 41.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.907 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -117.93 -91.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -108.34 106.93 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.694 ' C ' HD23 ' A' ' 160' ' ' LEU . 2.5 ptpt -125.97 -172.92 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OD1' ' A' ' 156' ' ' ASP . 1.7 m-85 -90.12 144.46 31.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -75.01 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 50.8 173.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.11 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.27 -21.95 62.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 62.9 77.88 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.8 105.77 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CA ' HG12 ' A' ' 62' ' ' ILE . 38.9 p90 178.34 159.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.05 -177.62 20.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' NZ ' ' HG2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -140.77 45.26 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -144.32 59.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.04 177.29 25.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.8 p90 -137.81 118.45 14.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -113.74 120.58 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.95 161.03 15.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.42 134.49 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -124.75 111.36 27.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 125.84 9.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.2 52.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.87 -173.09 14.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -45.32 -31.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 162.08 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 ' CE3' ' A' ' 19' ' ' TRP . 13.3 m -132.81 115.55 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.88 148.83 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.97 140.03 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 67.9 m -131.51 117.97 19.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.677 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -153.48 119.73 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.63 -174.38 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 ' CG2' ' A' ' 172' ' ' VAL . 21.3 t -106.48 119.04 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 67' ' ' TYR . 5.3 mt -106.93 113.18 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 m170 44.89 72.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.53 70.67 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.74 119.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.6 119.02 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -126.75 160.23 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 11.0 t80 -165.98 115.24 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.96 115.8 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -109.06 167.15 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.51 128.6 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 14.9 t -71.26 163.58 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.414 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -114.31 115.41 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.6 t80 -130.16 148.66 70.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.94 126.17 9.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -72.35 -49.8 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.28 -131.23 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 6.4 m-20 -44.67 111.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.0 t -39.03 -48.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -55.99 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.03 150.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.1 -103.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 tptt 44.11 55.06 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -101.41 108.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.575 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -87.25 138.59 31.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -101.95 115.02 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 114.47 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.69 119.04 38.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 94' ' ' THR . 0.7 OUTLIER -111.49 135.4 52.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 91' ' ' GLY . 62.1 t -129.83 167.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.519 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -39.45 -39.92 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.38 27.47 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.441 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -139.47 98.02 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 89' ' ' THR . 25.9 m -117.02 130.31 56.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -152.82 142.36 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -96.57 111.4 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 20.4 m -93.12 142.08 27.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.5 t -104.71 128.35 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 53.1 t80 -126.51 110.11 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.89 102.72 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.784 HG12 HG13 ' A' ' 14' ' ' VAL . 48.5 t -74.18 96.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 101' ' ' VAL . 8.3 mt -36.88 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -155.04 105.93 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.724 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 2.6 t -97.89 151.92 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' ASN . 7.8 t0 -95.1 -4.81 45.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 2.3 p-10 38.72 45.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.7 -59.0 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.87 -46.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 1.014 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 2.1 p90 -111.34 152.44 27.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -123.01 125.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -106.6 129.99 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.632 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -159.52 120.06 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 154' ' ' VAL . 25.2 t80 -98.21 143.2 28.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.436 ' C ' ' SG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -144.76 166.59 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.062 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -157.37 158.21 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 122.44 27.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -79.87 133.82 36.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -119.4 126.28 51.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.83 -51.74 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -49.88 -57.48 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -20.04 61.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp 80.16 -54.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.53 -144.92 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 35.9 p-80 -153.23 176.85 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.594 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -128.74 152.84 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.042 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.726 ' OD2' HG23 ' A' ' 128' ' ' VAL . 22.2 t0 -102.32 114.96 29.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -123.13 99.99 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.726 HG23 ' OD2' ' A' ' 126' ' ' ASP . 96.7 t -112.99 147.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.798 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.1 p90 -136.23 123.28 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG12 HG23 ' A' ' 29' ' ' VAL . 72.7 t -105.49 138.41 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.553 HD23 ' C ' ' A' ' 130' ' ' VAL . 9.8 mt -113.64 160.39 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TRP . 1.6 t -150.4 144.78 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.8 OUTLIER -43.2 -59.14 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 m -103.69 176.97 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -25.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 2.4 t -150.34 129.85 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.907 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.51 146.58 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.808 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -143.69 -178.81 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.43 -136.97 21.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -18.0 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -68.31 -37.05 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 147' ' ' ASN . 39.1 m -72.25 -38.9 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.1 -45.63 68.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.701 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.31 -52.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.37 -54.74 12.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -53.7 -49.54 67.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.574 ' O ' ' N ' ' A' ' 152' ' ' SER . 2.0 t80 -56.29 -52.42 64.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.951 ' CD2' HG11 ' A' ' 155' ' ' VAL . 43.0 mt -49.65 -35.33 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.1 -50.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -83.16 6.33 72.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 148' ' ' TYR . 24.9 p -76.63 139.67 67.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.422 ' C ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.96 -37.49 2.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.887 ' O ' HG23 ' A' ' 155' ' ' VAL . 2.2 m -151.64 110.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.951 HG11 ' CD2' ' A' ' 149' ' ' LEU . 2.9 t -166.23 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.528 ' OD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.81 94.65 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' ' 160' ' ' LEU . 26.0 p -62.3 -45.59 92.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -53.71 -27.14 26.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.48 -42.53 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.897 HD11 HG13 ' A' ' 155' ' ' VAL . 4.0 mt -45.0 168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 47.5 t -149.65 130.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.461 ' HE1' HD11 ' A' ' 137' ' ' LEU . 1.7 m-85 -82.88 161.02 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.6 m -38.76 127.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 165' ' ' PHE . 30.8 m-20 -172.25 43.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 10.5 p90 -37.66 -51.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 4.1 t 72.54 149.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 171' ' ' LYS . 5.4 mt-10 -45.14 -35.98 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.36 68.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -83.89 -57.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -78.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.4 tptt -52.95 119.64 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.58 ' CG2' HG11 ' A' ' 61' ' ' VAL . 68.8 t -96.68 151.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' ASN . 44.8 t30 -63.24 171.54 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 173' ' ' ASN . 2.9 m120 -40.61 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.63 146.62 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 56.7 t30 40.95 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -94.4 177.31 5.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 108.003 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 179' ' ' HIS . 45.1 m -130.48 172.12 12.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 178' ' ' SER . 0.1 OUTLIER -39.01 99.54 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 178' ' ' SER . 18.5 Cg_endo -74.92 -177.46 3.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.555 1.818 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -143.03 -165.84 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -138.63 151.95 47.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -135.27 129.21 33.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.431 ' N ' ' HD2' ' A' ' 159' ' ' LYS . 3.7 p30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 126' ' ' ASP . 25.5 m -102.07 103.3 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 12.3 t80 -116.98 100.29 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.37 162.08 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.3 138.32 52.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.54 -135.05 12.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -97.41 167.9 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' ALA . 12.3 m -40.65 150.95 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.25 115.99 24.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -141.58 111.75 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -64.85 110.73 4.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 167.78 26.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 103' ' ' SER . 5.5 m -56.6 132.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -38.45 88.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -154.01 90.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.806 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.01 130.93 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.79 109.31 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -62.12 -30.59 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 107.987 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -48.96 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.863 ' HG3' HD21 ' A' ' 106' ' ' ASN . 1.6 pt20 -86.96 54.28 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.806 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 168.59 84.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.621 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -176.4 -160.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.61 -142.69 47.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.82 121.8 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.944 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 8.7 m95 -132.47 107.24 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -75.85 126.41 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.7 mt-10 -49.97 161.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.882 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.94 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -110.94 118.73 36.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -146.15 147.8 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 62.1 m-85 -52.53 141.16 34.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 2.01 7.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER 77.02 173.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -41.75 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -89.27 25.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 33.69 39.17 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -130.32 120.18 23.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 4.1 p90 -172.37 165.66 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.21 147.22 18.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -143.52 39.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -165.51 61.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.98 177.82 16.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 p90 -139.49 119.44 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.48 160.6 37.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.1 160.88 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' CG ' HG22 ' A' ' 56' ' ' VAL . 9.9 m-85 -118.75 119.87 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -100.81 110.61 61.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 118.28 5.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 54.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.78 -171.86 13.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -46.74 -31.61 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.16 161.52 13.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 29.5 m -132.39 116.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 3.4 mttt -65.46 149.42 50.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' CG ' ' A' ' 47' ' ' TYR . 77.9 t -142.35 139.01 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 m -131.01 119.41 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 5.0 ttp180 -107.85 138.17 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.2 119.23 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -176.32 -175.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 66' ' ' GLU . 33.0 m -111.0 132.23 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.999 HD12 ' CG ' ' A' ' 67' ' ' TYR . 58.7 mt -105.18 110.53 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 40.95 70.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 53.75 62.6 5.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -172.27 112.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 61' ' ' VAL . 22.8 mt-10 -61.13 113.8 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.999 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -114.47 164.17 14.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -164.62 125.44 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 138.58 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.7 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.71 167.05 25.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.8 t -111.72 155.72 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -107.27 112.47 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.4 t80 -125.35 148.55 61.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.559 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -58.14 -47.28 87.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 -133.03 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -46.38 115.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -42.78 -44.48 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.0 -72.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -46.23 150.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.4 -104.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 40.5 66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.654 ' H ' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.15 112.56 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.708 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -89.05 137.61 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER -103.58 120.02 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.577 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.0 118.94 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -112.13 115.58 29.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.67 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -102.64 140.11 37.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 91' ' ' GLY . 10.6 t -151.71 170.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 90' ' ' VAL . . . -39.41 105.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 42.03 33.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -146.16 94.34 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.67 ' OG1' HG22 ' A' ' 89' ' ' THR . 2.4 m -123.46 124.68 43.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -139.91 146.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -95.58 113.79 25.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 86' ' ' HIS . 8.4 m -94.0 143.96 25.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.6 t -102.05 135.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 128' ' ' VAL . 42.8 t80 -131.36 111.3 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.07 108.77 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.583 HG21 ' HE2' ' A' ' 17' ' ' PHE . 51.5 t -90.69 98.8 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' VAL . 12.0 mt -38.07 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.597 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -165.28 85.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -49.23 165.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.623 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 7.8 t0 -84.4 -28.97 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.863 HD21 ' HG3' ' A' ' 21' ' ' GLN . 6.5 m120 62.45 63.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.596 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 13.0 m-20 -161.65 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 137' ' ' LEU . 1.7 t80 -102.39 146.67 27.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.944 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -117.08 131.22 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.78 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -104.99 153.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.689 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.52 177.71 46.57 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -160.74 123.47 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.01 172.21 8.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -145.38 129.86 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.4 112.2 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 4.3 t80 -63.82 108.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.67 98.73 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 52.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -115.94 -49.45 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 165.29 119.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.29 -146.03 18.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.601 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 26.5 p-80 -162.15 178.48 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 35.3 m95 -126.47 164.76 20.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 107.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -108.57 135.03 50.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -149.17 107.47 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.647 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.689 HG21 ' C ' ' A' ' 112' ' ' GLY . 10.1 p -118.56 149.42 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TRP . . . . . 0.764 ' HD1' HD21 ' A' ' 131' ' ' LEU . 7.8 p90 -106.25 123.15 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 107.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.053 ' C ' HD23 ' A' ' 131' ' ' LEU . 59.2 t -98.14 129.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.053 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -116.57 143.79 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.585 ' HB2' HG21 ' A' ' 29' ' ' VAL . 29.8 t -144.11 142.09 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -53.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.1 m -102.55 -178.34 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.85 1.96 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.534 HG12 ' CG2' ' A' ' 138' ' ' THR . 1.2 t -140.15 141.42 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.77 131.09 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.745 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.0 OUTLIER -152.57 -167.55 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.65 -168.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -46.97 -23.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -52.27 -40.18 61.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -62.71 -33.71 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.7 m -69.54 -41.28 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 105' ' ' ASP . . . -53.77 -40.26 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.775 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 2.5 t -74.51 -45.97 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 150' ' ' ILE . 0.5 OUTLIER -55.85 -57.85 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.67 -55.22 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.639 ' CD2' HD11 ' A' ' 111' ' ' ILE . 10.4 t80 -56.89 -49.2 76.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.76 -57.92 9.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 149' ' ' LEU . 85.5 mt -38.96 -49.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.34 43.39 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -65.79 114.45 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.407 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.5 Cg_endo -74.95 -28.57 9.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -152.21 -43.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -50.97 110.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 106.8 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 149' ' ' LEU . 34.8 p -59.51 -47.34 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -53.48 -19.13 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -99.69 -38.56 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 155' ' ' VAL . 3.6 mt -50.55 163.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 97.1 t -138.25 144.54 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.507 ' OH ' HG11 ' A' ' 145' ' ' VAL . 8.1 m-85 -102.2 161.28 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 93.7 p -37.12 105.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -159.04 82.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' A' ' 166' ' ' SER . 32.6 p90 -115.17 -46.93 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.81 147.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.2 OUTLIER -45.6 -34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.34 66.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -71.65 -57.29 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -55.25 -62.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 167' ' ' GLU . 22.7 tttt -39.43 126.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 64' ' ' GLY . 69.8 t -98.41 151.05 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -60.49 170.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.12 171.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 m -74.21 68.37 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -104.23 62.41 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -88.72 143.35 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 55.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' HIS . . . . . 0.426 ' ND1' ' C ' ' A' ' 179' ' ' HIS . 0.0 OUTLIER -143.03 159.35 56.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.585 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.54 14.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -139.71 -158.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.98 177.56 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -133.5 121.02 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 1.2 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.565 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 29.9 t80 -115.33 147.7 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 19.1 m-70 -151.49 170.56 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.55 146.23 29.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.22 -140.29 22.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -112.68 -168.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 144.38 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -170.75 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.74 116.82 20.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.505 ' CB ' HD21 ' A' ' 102' ' ' LEU . 3.2 m -149.14 112.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 113.63 27.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.419 1.747 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' CG ' ' A' ' 17' ' ' PHE . 8.3 m -54.03 135.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.662 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.6 p-10 -65.77 -41.37 92.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -151.61 91.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.37 134.05 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.51 125.04 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.9 m95 -85.07 6.17 26.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.483 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 1.2 m -47.14 -62.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.483 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -99.47 -49.18 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.708 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.36 84.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.61 -168.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.64 -136.59 16.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.31 125.43 50.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.5 m95 -127.5 152.23 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -130.57 139.67 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.953 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.22 152.49 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.062 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.48 -88.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -105.12 89.89 3.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -123.23 131.28 53.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' LYS . 22.0 m-85 -31.92 136.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.03 4.12 5.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.49 171.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -65.8 -26.04 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 75.27 82.15 0.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 1.8 pttt -129.41 115.02 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.658 ' N ' HG23 ' A' ' 62' ' ' ILE . 41.7 m-85 -162.38 168.24 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.82 102.96 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 37.9 tttm -91.55 72.57 5.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 t -163.03 46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.92 177.57 17.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -138.24 118.69 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -126.55 139.76 52.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.66 161.02 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CD2' HG22 ' A' ' 56' ' ' VAL . 16.3 m-85 -119.81 114.56 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.1 m -108.5 132.37 21.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.73 18.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 41.16 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 66.99 88.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 87.14 -47.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.18 157.13 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CE3' ' A' ' 19' ' ' TRP . 27.9 m -131.41 114.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -64.45 149.27 48.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 47' ' ' TYR . 54.5 t -142.45 124.54 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 73.6 m -122.21 118.82 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 2.0 ttp180 -110.99 136.21 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.35 120.21 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -158.33 -177.74 6.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.544 HG11 ' CG2' ' A' ' 172' ' ' VAL . 52.9 t -111.38 100.95 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.039 HD12 ' CG ' ' A' ' 67' ' ' TYR . 83.7 mt -83.88 117.04 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.4 m170 38.45 79.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.23 61.54 0.98 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.71 115.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG2' HG22 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.41 112.71 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.039 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -113.77 160.9 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -164.9 125.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.86 112.81 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.48 174.44 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 165.31 127.74 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.8 t -74.96 150.61 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -104.87 112.64 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.5 t80 -125.68 149.16 64.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 121.24 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -61.89 -52.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.56 -121.45 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 118.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -53.94 -43.66 70.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -56.23 -78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 15' ' ' ASP . 5.9 mm -43.02 157.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -57.39 -104.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.22 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -112.94 108.59 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.781 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -84.11 139.01 32.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.4 m-70 -104.62 119.97 40.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -116.47 110.41 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.657 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.1 p -90.34 148.94 22.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.442 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.87 133.47 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.5 -102.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.63 37.94 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.87 147.41 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.657 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.6 m -129.52 136.12 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -128.87 136.63 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -95.6 107.0 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' HIS . 40.4 m -92.61 133.92 35.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 115.33 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 101' ' ' VAL . 21.7 t80 -115.2 109.92 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -87.99 107.88 18.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 54.2 t -82.09 98.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 ' CB ' ' A' ' 11' ' ' VAL . 11.7 mt -37.49 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.48 122.44 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.536 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.7 t -105.75 156.21 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -96.76 -12.21 23.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.469 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 49.02 57.09 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -134.17 -77.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.555 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -140.58 14.32 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -154.36 155.42 35.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -143.48 133.99 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.742 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER -111.5 168.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 179.71 -172.15 43.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.561 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 5.6 t80 -168.28 130.85 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.25 23.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 122.29 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -94.16 142.4 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.459 ' CZ ' ' O ' ' A' ' 122' ' ' LYS . 48.0 t80 -87.21 138.34 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.81 117.24 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -16.17 60.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -87.76 -9.29 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 9.7 tptt 80.75 -58.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.67 -138.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-80 -156.21 172.66 18.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -126.48 164.27 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.443 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 9.6 t70 -107.03 147.44 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.8 106.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.0 p -138.09 167.07 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.75 ' HD1' HD21 ' A' ' 131' ' ' LEU . 1.8 p90 -148.94 148.83 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.062 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -109.78 135.54 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.002 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -112.12 154.08 25.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.542 ' HB3' HG13 ' A' ' 29' ' ' VAL . 10.8 t -150.13 112.12 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -36.24 -42.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 m -102.83 148.41 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.46 -21.01 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.609 HG12 ' CG2' ' A' ' 138' ' ' THR . 14.3 t -129.04 133.23 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.685 HD11 ' HB1' ' A' ' 141' ' ' ALA . 4.2 tp -75.67 121.2 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.776 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.4 p -148.9 -177.58 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 57.24 -164.82 6.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.21 -23.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -55.55 -44.47 76.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.95 -39.12 73.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.9 m -63.41 -48.29 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.98 -43.91 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.682 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -73.0 -31.99 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.91 -56.29 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -50.99 -52.48 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 1.114 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 26.8 t80 -54.37 -53.99 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.787 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.2 mt -56.0 -57.13 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 96.9 mt -40.46 -49.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.59 40.4 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.9 p -68.23 114.01 18.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 113' ' ' TYR . 1.2 m -141.14 -44.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 1.114 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 8.4 p -54.03 89.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.63 103.07 5.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.2 p -54.01 -41.29 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.07 -19.18 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -42.36 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 1.019 HD11 HG22 ' A' ' 155' ' ' VAL . 6.4 mt -53.33 172.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.544 HG11 ' HB3' ' A' ' 33' ' ' PRO . 10.5 p -149.57 125.4 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 163' ' ' SER . 5.1 m-85 -69.78 161.82 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 162' ' ' TYR . 80.3 p -36.07 145.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.9 t0 176.38 83.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.9 p90 -117.17 -47.97 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 71.24 148.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -34.81 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.08 -39.09 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -57.1 -57.26 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.9 OUTLIER -61.26 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.27 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.44 120.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.544 ' CG2' HG11 ' A' ' 61' ' ' VAL . 84.6 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -119.46 114.64 22.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -130.33 154.66 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -108.19 143.28 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' ' ND1' ' A' ' 124' ' ' HIS . . . 97.06 -136.93 13.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.96 169.21 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.2 m -45.84 156.01 0.47 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.239 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -171.22 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -77.7 124.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.5 m -160.74 116.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -75.13 113.15 22.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.96 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 101' ' ' VAL . 27.8 m -55.66 136.95 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 81' ' ' ILE . 7.4 p-10 -66.82 -41.68 87.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -155.93 87.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -66.15 128.82 37.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -116.74 127.15 54.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 2.8 m95 -85.55 6.73 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -57.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.07 -55.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.703 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -56.75 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.456 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.29 -175.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 82.97 -147.18 24.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -86.16 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 110' ' ' ILE . 23.8 m95 -136.24 155.68 49.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 25' ' ' LYS . 9.8 m0 -138.53 140.3 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 24.4 mt-10 -60.01 155.94 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -132.41 -91.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -102.52 99.45 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.713 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -132.09 171.88 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.41 134.39 84.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -43.73 167.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.61 21.52 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.0 77.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.43 121.94 41.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 62' ' ' ILE . 8.1 m-85 -156.5 175.8 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.62 114.36 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 165' ' ' PHE . 13.8 ttmm -117.99 57.6 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -162.58 57.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.45 177.21 21.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -126.71 118.52 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -141.25 139.64 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 12.2 pt-20 -144.57 158.57 43.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.637 ' CE2' HG21 ' A' ' 56' ' ' VAL . 20.5 m-85 -107.86 128.3 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -118.72 110.49 38.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 131.73 14.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -174.16 125.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 74.05 25.59 70.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 88.94 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 159.55 20.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -119.55 115.22 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.4 148.92 50.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -141.42 128.85 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 74.3 m -129.84 118.28 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -110.57 139.6 45.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -153.4 120.73 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -169.71 -175.09 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.2 m -115.49 100.14 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 40.1 mt -84.29 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER 38.99 66.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.628 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.28 63.28 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -170.21 125.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.38 120.11 9.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -124.0 159.07 30.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 19.5 t80 -165.55 121.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 ttp -138.44 107.14 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.6 pt-20 -104.35 168.56 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 169.69 164.11 24.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.05 143.08 47.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -96.69 112.76 24.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 48.0 t80 -127.14 148.6 66.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.61 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -74.99 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -67.68 -50.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -118.54 -127.82 3.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -44.7 107.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -38.2 -50.99 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -54.93 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 15' ' ' ASP . 9.6 mm -38.73 157.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.36 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 44.67 54.09 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.746 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -102.49 110.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -91.86 138.62 31.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.663 ' NE2' ' HB2' ' A' ' 73' ' ' ALA . 3.8 m-70 -102.15 122.04 43.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.56 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 114.31 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.2 114.56 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 94' ' ' THR . 1.6 p -93.02 148.9 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 90' ' ' VAL . 5.7 t -146.62 93.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . 36.45 62.98 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.77 -34.92 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 90' ' ' VAL . 4.1 t80 -75.89 93.05 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.726 HG23 HG22 ' A' ' 89' ' ' THR . 21.0 m -99.51 124.98 45.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 142.84 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -96.51 107.82 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 86' ' ' HIS . 7.7 m -97.27 128.91 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 118.32 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 8.6 t80 -121.04 110.14 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -92.71 119.49 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.812 HG21 ' HE2' ' A' ' 17' ' ' PHE . 55.4 t -87.11 103.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.3 mt -38.07 -87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -155.26 111.0 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.849 HG21 ' CE1' ' A' ' 17' ' ' PHE . 3.3 t -101.14 151.16 22.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -94.37 -1.15 54.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER 38.59 63.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.61 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -133.55 -42.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.968 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -109.67 160.55 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -138.43 141.66 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.569 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -122.73 137.93 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -157.7 125.03 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.872 ' HA ' HG22 ' A' ' 128' ' ' VAL . 9.8 t80 -94.16 113.25 25.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.25 168.03 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.4 129.22 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 128.88 53.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -68.31 128.29 36.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' LYS . 0.4 OUTLIER -101.4 109.96 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -52.65 52.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.168 . . . . 0.0 110.35 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.7 -57.08 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -13.55 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER 78.79 -60.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.44 -136.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 6' ' ' GLY . 32.3 p-80 -158.97 170.69 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -126.25 155.37 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.51 ' OD1' ' CE2' ' A' ' 113' ' ' TYR . 1.1 t70 -101.74 99.4 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.62 100.79 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.532 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 113' ' ' TYR . 53.5 t -94.42 138.98 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.443 ' CD1' ' O ' ' A' ' 129' ' ' TRP . 6.7 p90 -125.12 121.56 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 72.6 t -103.28 141.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -118.04 158.29 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.647 ' HB2' HG21 ' A' ' 29' ' ' VAL . 26.2 t -150.45 153.27 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -55.32 -48.68 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -105.1 164.28 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -56.03 -25.8 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.91 142.06 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.702 ' CD2' ' HB1' ' A' ' 141' ' ' ALA . 1.8 mt -75.74 140.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -154.02 -169.24 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 39.62 -160.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -48.28 -26.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.78 -34.23 62.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -71.9 -34.31 69.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -78.1 -33.48 50.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.968 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.45 -45.56 76.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.665 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 77.2 t -71.86 -49.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.42 -55.76 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -53.62 -54.31 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.569 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 2.3 t80 -56.8 -47.31 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.634 HD12 HG12 ' A' ' 145' ' ' VAL . 34.7 mt -57.36 -54.77 43.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.8 mt -40.54 -49.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -98.11 36.73 3.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.687 ' HB2' HG13 ' A' ' 155' ' ' VAL . 11.3 p -70.65 128.81 90.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.0 Cg_endo -75.07 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.697 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -121.67 -38.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.891 ' CG2' HD11 ' A' ' 160' ' ' LEU . 4.0 p -51.59 103.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.73 101.16 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.89 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.0 p -46.68 -43.52 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.33 -19.99 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -49.96 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.891 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.5 mt -44.65 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 31' ' ' LYS . 11.9 p -151.46 141.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 10.7 m-85 -84.34 158.39 21.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.0 p -39.44 157.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.51 98.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.528 ' CG ' ' HB3' ' A' ' 41' ' ' LYS . 29.4 p90 -118.63 -47.58 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 74.02 149.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -34.69 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.39 -38.46 63.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -69.39 -55.7 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.05 -52.68 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -58.59 108.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.402 HG11 ' CE1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 35.0 t80 -100.99 150.17 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 24.7 m-70 -153.18 166.18 33.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.99 142.94 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 79.4 -136.1 16.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.39 -169.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 7.3 m -50.62 143.87 13.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -170.47 0.78 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 11' ' ' VAL . 6.6 mt-10 -73.71 117.8 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.3 m -151.82 115.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -75.57 113.37 25.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 170.18 20.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.729 HG13 HG12 ' A' ' 101' ' ' VAL . 14.7 m -54.59 137.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -65.3 -42.0 93.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -155.83 95.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.724 ' CE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.91 160.02 24.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.67 124.07 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.519 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.4 m95 -83.95 4.09 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -49.57 -38.83 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -116.92 -63.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.669 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.25 93.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -177.24 -165.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.98 -140.65 30.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -98.1 125.06 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.4 m95 -130.48 171.71 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.03 144.69 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 6.0 mm-40 -66.76 147.91 52.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -115.01 -86.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -106.71 91.82 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.645 ' O ' HG12 ' A' ' 161' ' ' VAL . 4.9 tttm -121.07 155.02 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE1' HG11 ' A' ' 2' ' ' VAL . 6.4 m-85 -53.77 133.46 56.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.745 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.04 2.79 6.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER 57.65 179.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.05 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -111.53 14.19 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 51.52 97.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.78 96.71 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER 175.16 156.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 138.08 9.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -106.17 44.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -141.74 61.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.76 177.24 32.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -134.7 143.46 47.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.77 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.03 111.58 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.5 161.77 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.3 m-85 -121.93 126.64 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -105.87 110.95 64.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.28 8.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 42.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.81 -169.67 16.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -49.11 -30.77 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -92.87 160.41 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.519 HG21 ' CE3' ' A' ' 19' ' ' TRP . 14.6 m -136.65 113.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 149.41 43.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 47' ' ' TYR . 78.8 t -145.81 135.1 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 15.3 m -127.62 117.03 21.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.77 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -112.18 133.21 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -153.85 120.17 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 1.3 p-10 -146.88 -175.54 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.644 HG21 ' O ' ' A' ' 170' ' ' CYS . 29.3 m -111.62 98.71 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.881 HD12 ' CG ' ' A' ' 67' ' ' TYR . 43.4 mt -87.26 120.43 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . 39.7 m170 39.09 76.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.78 69.26 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 172' ' ' VAL . 1.3 ttpp -177.09 114.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 112.61 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.881 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -106.81 168.07 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 45.1 t80 -164.8 129.5 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 ttm -153.75 98.54 2.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -97.36 168.38 10.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 168.24 127.37 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 11.4 t -73.31 168.25 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -116.04 128.16 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.5 t80 -142.87 147.46 41.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.98 135.91 19.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -75.54 -48.03 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -130.45 -120.15 2.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.48 112.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -47.45 -45.52 25.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ILE . 11.9 mttp -56.5 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -38.53 155.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.51 -107.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 43.81 61.05 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.609 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -108.51 114.05 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -93.67 143.18 26.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 97' ' ' THR . 10.3 m170 -103.78 154.62 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.25 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -104.03 133.14 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -105.91 146.85 29.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 90' ' ' VAL . 16.8 t -140.21 88.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.68 62.86 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.84 -35.99 3.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.01 98.11 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -97.38 137.63 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -138.03 140.59 40.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -96.39 110.87 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.0 t -92.76 142.78 26.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.1 t -97.29 123.62 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.784 ' CE2' ' CE2' ' A' ' 129' ' ' TRP . 0.1 OUTLIER -113.22 109.82 19.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.68 106.29 18.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.765 HG22 ' HZ2' ' A' ' 129' ' ' TRP . 73.2 t -87.55 92.52 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.7 mt -33.1 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -161.18 96.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.691 HG23 ' OD1' ' A' ' 106' ' ' ASN . 6.3 t -92.35 146.98 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.2 t0 -77.61 -34.73 53.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.691 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.0 m-80 70.76 61.81 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.64 -63.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.834 ' OD1' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -130.92 -45.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.975 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -106.13 160.07 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -138.83 134.44 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -116.41 140.98 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -165.41 149.65 16.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.489 ' CE1' HG23 ' A' ' 154' ' ' VAL . 8.6 t80 -128.32 114.51 16.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 3.4 p -123.19 135.78 54.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -134.56 150.56 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.07 128.93 37.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.22 110.88 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 120' ' ' ASP . 37.4 m-20 -118.52 97.58 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 59.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -78.76 -62.66 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -116.05 -50.81 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 169.99 81.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.81 -144.62 12.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 115' ' ' CYS . 6.6 p80 -151.68 179.25 8.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -122.3 164.48 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -122.33 164.96 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.429 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 1.3 t60 -170.07 116.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 112' ' ' GLY . 55.4 t -95.09 139.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.784 ' CE2' ' CE2' ' A' ' 99' ' ' PHE . 23.3 p90 -108.12 103.2 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 29' ' ' VAL . 22.0 t -98.02 102.45 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.839 HD23 ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -96.74 154.66 17.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.532 ' HB3' HG13 ' A' ' 29' ' ' VAL . 1.3 t -149.49 150.91 33.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -51.34 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.3 m -104.67 172.89 6.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -59.41 -23.42 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.55 148.29 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -74.14 134.14 42.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 19.2 p -148.34 -178.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.9 -172.07 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.45 -26.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.834 ' HB2' ' OD1' ' A' ' 108' ' ' ASN . . . -52.81 -39.6 62.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -36.32 70.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 0.9 OUTLIER -77.1 -37.25 54.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.975 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.43 -45.59 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.757 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.4 t -71.99 -45.54 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 4.9 mm-40 -54.22 -55.41 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -52.23 -55.04 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 155' ' ' VAL . 10.2 t80 -55.96 -50.72 70.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 83.1 mt -55.48 -56.84 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.32 -49.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.04 41.1 2.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -67.81 124.72 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -29.87 7.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.5 OUTLIER -148.69 -47.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 1.02 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.2 p -53.31 93.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.1 p30 -73.43 107.65 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.742 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.6 p -58.73 -43.33 90.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.47 -24.49 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.72 10.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 1.02 HD11 ' CG2' ' A' ' 155' ' ' VAL . 3.3 mt -45.36 167.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 33' ' ' PRO . 9.8 p -150.04 145.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 11.5 m-85 -90.0 161.95 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 34.8 m -35.79 139.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.29 66.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 52.9 p90 -88.21 -47.74 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.506 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 73.13 149.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.42 -34.63 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.2 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -78.88 -46.85 17.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.644 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 m -58.04 -63.83 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 108.266 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.61 118.11 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 65' ' ' LYS . 10.7 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 126' ' ' ASP . 5.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 39.5 t80 -109.5 153.63 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 33.3 m-70 -151.64 168.0 26.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -109.37 137.96 46.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.618 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 76.47 -131.66 11.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -111.28 -172.9 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 58.9 m -45.84 150.54 0.98 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.2 mt-10 -81.91 125.15 30.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 102' ' ' LEU . 3.4 m -162.52 113.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -67.35 111.73 8.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 17' ' ' PHE . 24.0 m -53.85 124.68 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 81' ' ' ILE . 4.0 p-10 -64.43 -37.85 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -155.55 83.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -66.42 153.47 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -146.78 132.15 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 54' ' ' VAL . 5.7 m95 -86.53 4.38 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -62.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -89.42 -88.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -35.23 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.596 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -177.68 -169.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.641 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.19 -137.4 23.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -82.33 118.78 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.88 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 18.5 m95 -145.97 142.23 28.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.473 ' CZ3' ' O ' ' A' ' 40' ' ' GLY . 6.1 m95 -133.46 149.71 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 6.6 mt-10 -55.55 144.21 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -111.08 -83.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.764 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -126.51 119.25 26.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.512 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -150.59 170.19 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 3.0 m-30 -58.53 135.01 85.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.2 Cg_endo -75.01 130.24 13.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -50.55 175.13 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.98 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.35 24.45 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.34 82.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 137.95 50.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -163.11 174.68 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . . . -171.45 119.95 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 2.2 ttmt -111.31 -152.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 28.0 p 41.96 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.4 177.16 29.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.471 ' CE3' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -108.36 126.15 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -127.63 142.29 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -155.18 161.49 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.8 m-85 -123.15 134.6 54.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -111.79 109.9 55.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.13 63.13 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -164.42 25.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -29.95 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.69 158.69 15.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 19' ' ' TRP . 3.5 m -136.29 114.63 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 149.38 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' TYR . 41.1 t -131.55 136.54 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.2 p -131.48 138.1 48.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -141.5 157.22 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.61 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -155.47 -178.14 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 170' ' ' CYS . 31.1 m -119.49 114.25 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.967 HD12 ' CG ' ' A' ' 67' ' ' TYR . 34.3 mt -97.58 122.89 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.7 m170 40.25 62.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.781 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 50.3 68.03 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 7.3 ttpt -173.49 122.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.89 113.12 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.5 t80 -117.32 165.34 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 17.4 t80 -153.67 139.11 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.2 ttt -134.8 116.91 15.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -131.67 169.66 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.36 165.73 21.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 87' ' ' SER . 7.3 t -116.4 151.97 34.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB1' ' HH2' ' A' ' 19' ' ' TRP . . . -114.53 112.35 22.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 29.7 t80 -132.53 149.19 72.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -64.05 -52.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.98 -124.26 3.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.89 122.1 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -53.39 -46.65 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.6 mm -41.97 160.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -63.8 -102.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 48.37 47.13 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.256 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.633 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.92 107.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 5.2 p90 -85.8 136.15 33.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.2 m-70 -98.13 126.93 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.51 ' HB2' HG22 ' A' ' 72' ' ' THR . 20.0 m -83.69 108.29 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.78 136.26 54.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.598 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.4 p -99.83 147.31 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 93' ' ' TYR . 40.8 t -143.9 123.14 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.05 63.37 0.76 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.61 41.93 57.55 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 2.3 t80 -142.83 93.91 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.598 ' OG1' HG22 ' A' ' 89' ' ' THR . 96.1 m -69.15 130.86 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -133.86 138.01 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -95.49 106.32 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.8 m -95.35 133.15 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.1 t -90.28 122.56 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.5 t80 -124.4 109.17 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -89.74 116.56 27.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.65 HG22 ' CE2' ' A' ' 99' ' ' PHE . 72.9 t -86.98 101.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -38.73 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -166.96 98.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.9 t -91.03 155.73 18.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.453 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -82.05 -36.37 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 104' ' ' THR . 4.4 m-80 72.74 52.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.81 -67.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.707 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.3 m-80 -143.27 15.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.884 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -159.09 149.85 19.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.2 mp -141.36 127.06 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.792 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.4 OUTLIER -105.51 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 170.79 -174.04 44.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 102' ' ' LEU . 15.0 t80 -167.11 115.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 0.719 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -117.78 164.06 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.41 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 4.9 p -155.66 151.66 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -122.44 131.93 54.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -77.91 137.79 38.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.83 111.01 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -43.41 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.28 -59.15 5.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -18.5 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 mptt 73.95 140.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.54 -134.19 15.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.7 p80 -158.21 162.12 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -112.88 158.8 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 42.0 m-20 -95.58 159.07 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -175.89 88.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.633 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.2 p -106.51 163.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 131' ' ' LEU . 3.5 p90 -146.81 138.2 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.708 ' C ' HD23 ' A' ' 131' ' ' LEU . 92.3 t -120.09 124.06 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -101.33 153.34 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.485 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -149.3 142.73 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -42.25 -53.72 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 136' ' ' VAL . 7.0 m -100.28 151.62 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.451 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 1.2 ptp -42.03 -26.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -121.81 156.22 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -75.07 133.57 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.7 p -152.4 -176.92 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.56 -171.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.86 -26.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.34 -28.57 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -72.79 -35.22 67.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -71.52 -38.54 71.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.884 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.95 -45.19 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.843 HG23 ' CD2' ' A' ' 109' ' ' TYR . 3.9 t -70.7 -46.01 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.74 -49.9 64.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -51.95 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.792 ' CE2' HD11 ' A' ' 111' ' ' ILE . 8.5 t80 -54.9 -49.77 70.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 157' ' ' SER . 27.5 mt -50.69 -56.55 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.8 mt -46.09 -49.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.18 42.13 2.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 149' ' ' LEU . 19.3 m -67.52 125.23 90.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.808 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.99 -21.89 15.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -166.13 -38.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.798 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -51.34 116.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.78 101.09 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.7 p -50.16 -46.34 54.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -53.36 -28.3 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -38.95 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.798 HD11 HG22 ' A' ' 155' ' ' VAL . 1.3 mt -47.43 168.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 32.4 t -151.0 144.18 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.764 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m-85 -92.4 161.3 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.0 m -46.64 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 159.07 105.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 166' ' ' SER . 25.9 p90 -115.58 -46.79 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 12.6 m 69.43 150.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.06 -34.14 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.67 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -77.39 -57.3 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.786 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -55.4 -56.92 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -47.19 118.09 2.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 170' ' ' CYS . 60.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 126' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.533 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 3.9 t80 -116.18 138.76 50.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.533 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 10.1 m-70 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.62 136.63 49.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.11 -134.17 12.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.17 -168.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.3 m -50.53 157.35 1.28 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -75.02 -171.07 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.649 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.0 mt-10 -81.37 120.63 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 10' ' ' GLU . 6.6 m -158.83 113.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -70.92 112.82 14.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 178.47 7.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.048 HG21 ' CD1' ' A' ' 17' ' ' PHE . 18.7 m -55.82 133.62 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.658 ' HA ' HD13 ' A' ' 81' ' ' ILE . 18.5 p-10 -66.18 -35.35 80.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -158.77 96.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.048 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.56 159.39 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -158.02 121.52 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.477 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.8 m95 -86.34 6.22 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.979 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.456 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -46.16 -44.46 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.83 -85.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -29.58 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.54 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -177.07 -161.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.41 -138.19 33.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -96.73 132.12 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.788 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 16.0 m95 -139.33 137.2 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 36.3 m0 -115.34 141.19 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.8 mt-10 -59.41 156.21 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -128.59 -88.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -106.38 92.08 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 -172.81 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.459 ' C ' ' H ' ' A' ' 34' ' ' SER . 2.5 m-85 -88.06 141.72 31.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 51.7 173.61 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 t30 -106.11 26.99 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 35.91 76.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 100.46 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.741 ' CA ' HG23 ' A' ' 62' ' ' ILE . 36.4 p90 179.16 165.98 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.68 170.56 23.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -139.92 40.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.66 67.64 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -147.27 177.13 25.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -119.73 122.85 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -119.94 97.88 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -100.04 159.46 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 56' ' ' VAL . 11.4 m-85 -123.52 133.65 53.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -113.7 110.48 49.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.99 129.27 12.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.97 50.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.84 -173.24 14.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -45.83 -31.68 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.82 158.1 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 49' ' ' PRO . 2.5 m -133.1 119.97 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 149.09 31.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 47' ' ' TYR . 76.0 t -137.71 122.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 4.2 m -122.28 118.32 28.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.63 138.94 51.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.67 120.28 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.26 177.94 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 170' ' ' CYS . 22.1 m -104.44 98.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.004 HD12 ' CG ' ' A' ' 67' ' ' TYR . 74.3 mt -73.88 114.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m170 39.74 77.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 40.91 59.61 2.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.49 117.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 114.74 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -127.16 160.63 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 9.7 t80 -165.45 128.62 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.3 mmt -145.48 124.65 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.9 pt-20 -122.7 167.24 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -179.22 -145.31 6.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.0 t -158.77 144.5 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.357 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -95.24 112.43 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 47.5 t80 -127.96 148.57 67.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.99 135.44 19.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.614 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -79.79 -51.03 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.15 -123.4 2.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -44.2 112.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -50.33 -41.5 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -56.92 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.1 mm -46.22 157.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.96 -106.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.5 55.9 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.729 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -106.93 111.35 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.614 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -90.87 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' NH1' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -100.5 120.55 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.603 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 124.13 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' NH1' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -119.35 105.78 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.498 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.16 148.88 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 91' ' ' GLY . 45.9 t -142.45 168.39 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.34 -49.26 1.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.92 32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.8 94.22 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 89' ' ' THR . 2.2 m -116.39 120.01 37.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -137.9 146.53 43.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -95.57 113.29 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' HIS . 18.6 m -92.92 135.97 33.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.0 t -100.01 117.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.639 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.8 t80 -118.51 110.16 17.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -93.56 102.36 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.811 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.7 t -70.68 96.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.72 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.9 mt -34.08 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -146.43 108.53 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.515 HG23 ' OD1' ' A' ' 106' ' ' ASN . 10.2 t -100.78 139.81 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.99 -16.31 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER 49.2 71.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -75.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.53 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -124.95 -40.02 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.992 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -112.36 162.98 14.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.788 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -143.94 135.29 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -108.95 172.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . 174.79 -175.41 46.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' A' ' 9' ' ' PRO . 21.0 t80 -166.76 113.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.83 171.13 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -157.83 126.66 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.504 ' CE1' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t80 -64.98 134.05 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.71 96.33 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.504 ' OE1' ' CE1' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -76.1 51.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.13 -60.46 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 18.64 16.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.39 74.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.16 -138.67 5.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 115' ' ' CYS . 7.5 p80 -163.68 179.39 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -125.54 161.9 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 2' ' ' VAL . 33.2 t0 -97.31 158.86 15.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.77 102.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.549 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 1.6 p -105.2 163.49 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.453 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 3.1 p90 -139.87 141.33 36.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 107.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.018 ' C ' HD23 ' A' ' 131' ' ' LEU . 42.4 t -119.9 138.07 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.018 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -115.45 160.85 19.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.592 ' OG ' HG13 ' A' ' 29' ' ' VAL . 12.4 p -146.76 160.5 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 108' ' ' ASN . 3.8 ttp180 -64.08 -56.51 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 m -105.69 -173.75 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -62.59 -11.81 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 135' ' ' MET . 1.9 t -159.61 110.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 141' ' ' ALA . 0.4 OUTLIER -65.2 145.15 56.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 10.7 p -144.6 177.41 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.414 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.91 -146.67 48.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -26.63 43.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 137' ' ' LEU . . . -56.28 -45.82 79.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -60.7 -40.12 91.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 95.7 m -65.23 -37.69 88.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.992 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.65 -45.53 70.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.809 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.6 t -72.84 -50.69 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -55.99 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.72 -54.4 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.72 ' HE1' HD13 ' A' ' 102' ' ' LEU . 17.2 t80 -56.92 -50.85 71.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 145' ' ' VAL . 84.7 mt -56.35 -54.56 44.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 22.1 mt -40.33 -50.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.07 38.6 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.596 ' CB ' HG13 ' A' ' 155' ' ' VAL . 5.7 p -69.2 117.12 49.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.744 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.33 11.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -149.41 -43.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 1.007 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p -52.52 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 154' ' ' VAL . 2.2 p30 -74.71 103.49 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.862 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.3 p -54.26 -37.73 65.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -54.25 -18.35 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -46.72 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 1.007 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -47.54 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 53.4 t -150.77 121.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 2.1 m-85 -67.55 162.16 23.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -36.33 124.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -173.77 68.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 166' ' ' SER . 42.4 p90 -84.71 -48.95 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.598 ' N ' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 72.91 149.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 171' ' ' LYS . 3.0 mt-10 -45.91 -35.03 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.16 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -79.78 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.637 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 t -54.68 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -38.45 127.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.531 ' HB ' HG11 ' A' ' 61' ' ' VAL . 7.2 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 125' ' ' TRP . 6.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 73.3 t80 -86.26 158.9 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 53.8 m-70 -155.07 170.44 21.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -105.27 139.26 40.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 -134.66 18.52 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.77 -171.02 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 56.2 m -46.43 140.29 5.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.95 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.3 mt-10 -77.96 123.58 26.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.7 m -158.35 115.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -75.88 114.18 34.5 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.27 29.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 17' ' ' PHE . 16.1 m -49.08 135.06 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 81' ' ' ILE . 2.6 p-10 -66.29 -42.99 87.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -154.31 86.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.811 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.46 129.6 40.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -119.56 123.26 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -69.76 -14.77 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -56.13 10.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' CD ' ' HB3' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -106.09 54.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 175.31 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -175.64 -160.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.92 -145.55 49.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 2.8 mtpm? -82.45 126.52 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.871 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.9 m95 -140.95 140.95 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -120.9 130.16 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 3.2 mm-40 -49.85 157.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -120.07 -83.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -123.21 106.03 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 32' ' ' TYR . 13.2 ptmt -133.53 135.87 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.9 m-85 -32.36 134.8 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.016 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -146.1 172.51 5.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.84 6.47 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.88 94.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 mttt -115.92 100.14 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 70.3 m-85 -162.59 160.1 25.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.58 113.71 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -105.57 72.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 m -173.0 46.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -135.19 177.26 19.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -134.83 129.87 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -132.7 165.46 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -155.86 152.2 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' HG21 ' A' ' 56' ' ' VAL . 9.4 m-85 -107.92 115.64 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 92.0 m -105.74 118.04 56.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.96 121.6 6.69 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.549 1.815 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.5 45.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 73.44 87.27 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.3 tttt 87.05 -48.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.7 158.67 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.68 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 31.3 m -134.5 112.13 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.1 mttt -72.32 147.16 46.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 47' ' ' TYR . 87.4 t -132.61 132.0 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.28 117.67 23.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.66 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -111.42 142.88 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -152.64 119.91 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 67' ' ' TYR . 2.5 p-10 -156.31 -176.02 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 172' ' ' VAL . 10.2 p -123.81 97.69 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.838 HD12 ' CG ' ' A' ' 67' ' ' TYR . 5.0 mt -74.34 121.85 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m170 63.59 -96.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . -140.75 35.54 1.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -142.26 126.64 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.69 112.52 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.838 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -105.04 162.62 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 8.5 t80 -165.46 133.77 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mtt -144.05 155.48 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 27.0 mt-10 -140.75 166.53 24.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 172.63 148.26 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -110.88 151.71 27.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.68 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -109.8 117.74 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 38.8 t80 -132.09 148.98 71.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.593 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.02 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.875 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -56.3 -52.86 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.78 -118.74 2.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.46 113.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -48.38 -50.86 29.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -53.32 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.1 mp -39.49 155.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.16 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt 43.63 65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.563 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -115.68 107.98 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.875 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -81.31 134.82 35.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 97' ' ' THR . 1.4 m-70 -100.65 128.11 46.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -83.87 114.56 21.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -109.31 107.3 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.793 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -88.58 138.46 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 91' ' ' GLY . 86.7 t -136.71 167.43 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -40.03 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 52.42 31.33 35.54 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.03 101.66 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.793 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.7 m -115.58 137.19 52.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 6.8 tptt -149.46 144.86 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.3 mptt -95.76 111.5 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 86' ' ' HIS . 8.7 t -93.31 144.25 25.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.89 125.06 46.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.3 t80 -122.1 109.74 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -86.6 104.32 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.811 HG11 ' CE2' ' A' ' 17' ' ' PHE . 41.2 t -82.16 98.27 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.6 mt -38.75 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -161.81 129.09 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -111.58 170.16 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.431 ' N ' ' OG1' ' A' ' 104' ' ' THR . 1.6 t0 -97.64 -7.46 30.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.409 ' HB3' ' CD ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 43.91 53.94 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -67.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.92 19.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.766 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.88 152.15 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.871 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -145.97 128.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.54 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -115.52 170.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.465 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -174.38 -177.02 43.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 154' ' ' VAL . 7.5 t80 -167.26 112.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 24.3 p -130.36 151.71 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -147.67 143.99 28.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.325 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -109.13 120.92 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -73.41 120.77 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -105.96 117.75 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -18.65 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -50.19 22.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -89.26 -12.75 39.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 79.4 -54.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.7 -141.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -159.85 173.6 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 5.0 m95 -134.16 135.35 43.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.79 155.86 16.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.89 116.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.636 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 0.2 OUTLIER -128.31 163.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.492 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 7.5 p90 -131.92 126.1 33.3 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.03 ' C ' HD23 ' A' ' 131' ' ' LEU . 91.6 t -94.74 132.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.03 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.45 152.92 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.2 t -150.35 159.12 44.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -55.93 -50.89 69.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -104.12 -168.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -0.86 55.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.07 147.07 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 145' ' ' VAL . 1.3 mt -75.05 134.08 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.5 p -152.79 -174.61 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.23 -169.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -46.98 -24.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.58 -38.5 63.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -63.0 -35.27 79.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 2.3 m -72.21 -38.96 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.34 -47.2 76.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 137' ' ' LEU . 4.4 t -69.36 -43.08 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 3.2 mm-40 -56.42 -57.86 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -54.5 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.913 ' CE1' HG11 ' A' ' 155' ' ' VAL . 3.0 t80 -56.8 -48.65 77.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 145' ' ' VAL . 23.4 mt -56.9 -56.9 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -39.67 -50.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.53 40.85 2.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB3' HG13 ' A' ' 155' ' ' VAL . 1.8 p -68.37 114.0 18.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.747 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.01 -13.44 21.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.1 OUTLIER -165.33 -42.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.913 HG11 ' CE1' ' A' ' 148' ' ' TYR . 7.5 p -54.34 93.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -78.99 107.22 11.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.935 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.1 p -58.03 -45.39 87.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.24 -20.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -92.63 -47.05 7.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -46.41 171.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 33' ' ' PRO . 8.5 p -150.2 130.61 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 22.6 m-85 -77.75 160.77 28.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' VAL . 19.8 m -39.38 159.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.8 m-20 161.49 104.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.652 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 26.0 p90 -120.29 -46.02 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.508 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 83.36 144.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.96 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.19 -34.54 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.13 -33.29 57.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -69.99 -55.19 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -34.38 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -75.03 144.87 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 61' ' ' VAL . 56.0 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.441 HG11 ' HE3' ' A' ' 159' ' ' LYS . 35.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.43 153.47 20.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -146.87 171.17 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.428 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 11.6 t0 -102.4 141.63 34.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 73.33 -144.07 33.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -117.15 -167.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 m -51.94 136.29 37.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 108.331 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -80.87 121.99 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.3 m -155.17 113.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.39 113.41 25.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.2 Cg_endo -75.0 169.99 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.074 HG21 ' CD2' ' A' ' 17' ' ' PHE . 3.4 m -55.05 123.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.742 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -157.78 88.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.074 ' CD2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.21 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -123.15 116.64 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 2.8 m95 -84.1 7.38 18.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.056 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -62.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -98.49 -46.6 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -57.17 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -177.67 -178.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.59 -138.83 14.46 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -105.64 122.48 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 110' ' ' ILE . 15.2 m95 -127.23 167.9 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -141.91 132.54 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -39.87 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.61 HG22 ' CB ' ' A' ' 132' ' ' SER . 1.2 t -119.18 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.587 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -121.93 95.72 4.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 165.87 14.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 38.2 m-85 -60.75 139.55 93.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 128.95 11.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.27 167.39 1.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -90.19 19.24 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.23 79.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.4 mttt -129.77 138.47 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.994 ' O ' HG23 ' A' ' 62' ' ' ILE . 13.2 m-85 -155.34 174.88 14.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.0 113.64 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -105.55 -142.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.2 p 42.24 41.27 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.23 177.46 20.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 59' ' ' TYR . 1.9 p90 -122.05 119.93 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -136.1 98.73 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.55 159.21 15.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.9 m-85 -121.27 117.96 28.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -98.0 109.91 53.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HA ' HG13 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.0 131.16 13.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -152.8 48.72 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.19 -171.88 13.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -31.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.55 152.6 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG13 ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -125.83 141.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -85.43 147.86 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CD2' ' A' ' 47' ' ' TYR . 99.1 t -135.14 133.87 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.7 p -131.37 117.87 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -115.64 133.74 55.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.96 120.65 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -167.67 172.59 9.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.729 HG12 ' HG2' ' A' ' 66' ' ' GLU . 5.1 m -101.56 116.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.994 HG23 ' O ' ' A' ' 39' ' ' TYR . 26.2 mt -104.53 118.78 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 38' ' ' LYS . 47.3 m170 45.73 77.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.564 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.81 60.35 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 115.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.729 ' HG2' HG12 ' A' ' 61' ' ' VAL . 36.1 mt-10 -63.9 112.84 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -111.1 165.01 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 58' ' ' ARG . 69.2 t80 -164.76 149.08 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ttm -166.79 117.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 5.7 pt-20 -118.63 169.47 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 163.5 161.26 12.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.7 t -110.6 148.17 32.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 114.49 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 30.8 t80 -129.55 146.67 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.95 129.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -78.17 -49.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.43 -129.81 5.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -49.14 113.09 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 74.3 m -39.06 -55.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 9.0 ptpt -54.22 -55.91 23.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -52.79 151.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.62 -105.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 41.55 55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.75 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.87 111.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.6 p90 -91.81 130.64 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -94.91 121.61 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.596 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -80.13 119.27 22.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' NE2' ' A' ' 86' ' ' HIS . 2.2 mtp180 -98.57 106.43 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.53 142.51 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 91' ' ' GLY . 43.9 t -141.99 169.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.542 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.59 -44.14 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.7 36.7 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.68 104.4 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.7 m -117.17 116.74 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -133.67 138.14 45.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 1.3 mtpt -95.43 112.92 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.454 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 53.6 m -97.32 141.55 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.7 132.41 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.2 t80 -131.4 110.47 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.5 108.89 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.644 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 50.7 t -88.72 102.31 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -34.72 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.446 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -166.33 103.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.431 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -84.68 155.64 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -86.77 0.37 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' ASP . 1.1 p30 38.75 68.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -75.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.818 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.14 -39.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.797 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -108.47 160.57 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.716 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -135.64 137.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.797 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.8 tp -118.27 142.56 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.482 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -155.26 179.06 31.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -165.25 113.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 80.5 p -129.04 157.1 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.4 145.69 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -106.09 122.91 47.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.98 128.12 34.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.605 ' OD1' ' CD1' ' A' ' 125' ' ' TRP . 7.5 p-10 -143.89 98.96 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.94 53.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -86.08 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.34 12.56 17.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.18 73.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.25 -151.22 7.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.0 p80 -163.15 157.56 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.605 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 54.6 m95 -107.38 125.38 51.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.09 134.97 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.25 128.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.738 HG22 ' H ' ' A' ' 129' ' ' TRP . 5.8 p -132.67 179.95 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.781 ' HD1' HD21 ' A' ' 131' ' ' LEU . 8.7 p90 -142.34 120.11 11.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.029 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.027 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.9 t -93.63 140.46 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.027 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -116.96 140.39 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.61 ' CB ' HG22 ' A' ' 29' ' ' VAL . 12.5 p -122.78 141.79 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -57.61 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m -105.7 -163.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -27.48 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.92 157.54 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.673 HD21 ' HB ' ' A' ' 145' ' ' VAL . 9.4 tp -74.5 135.15 42.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.805 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.9 p -152.89 -169.84 3.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 41.66 -153.77 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.083 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -20.65 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -56.15 -43.79 78.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -65.0 -31.34 72.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.8 m -69.81 -51.0 37.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.4 -44.91 72.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.673 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -69.91 -32.62 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.7 -58.15 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -50.08 63.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.901 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 36.8 t80 -55.23 -53.96 49.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 157' ' ' SER . 51.7 mt -55.63 -55.37 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 83.1 mt -40.01 -48.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.05 40.69 2.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.6 p -68.11 112.98 12.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.582 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.95 -21.13 16.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 153' ' ' PRO . 2.4 m -156.54 -44.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.901 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 7.5 p -53.23 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.77 108.32 8.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.946 ' HA ' HD12 ' A' ' 160' ' ' LEU . 9.9 p -59.8 -44.8 93.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -53.92 -19.83 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.441 ' HE3' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -92.15 -47.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.5 mt -48.55 174.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 34.8 t -150.4 122.16 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.3 m-85 -68.19 161.13 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' VAL . 12.7 m -42.62 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 163' ' ' SER . 3.7 m-20 159.8 88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 34.0 p90 -110.0 -47.85 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER 65.58 149.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -34.32 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.07 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -70.0 -55.38 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.763 ' O ' HG23 ' A' ' 172' ' ' VAL . 15.2 m -57.24 -57.56 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -54.45 119.68 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 170' ' ' CYS . 48.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 2.6 p90 -73.06 122.2 21.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 35.6 m-70 -90.82 173.14 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.92 149.21 24.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 -138.15 18.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -105.2 -168.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -70.18 147.01 95.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -170.34 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' VAL . 15.0 mt-10 -85.01 127.08 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.0 m -155.26 115.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -75.3 113.79 29.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.98 166.0 30.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 101' ' ' VAL . 4.2 m -54.1 138.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.04 -42.94 88.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -158.29 91.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 115.11 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 53.6 m95 -62.91 -21.8 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.046 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -48.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 5.5 pm0 -95.17 55.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 175.43 83.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.567 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.72 -164.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 70.64 -146.03 41.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -92.27 118.31 30.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.695 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.6 m95 -121.52 148.72 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.42 116.87 23.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.46 158.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.929 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -119.93 -86.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -124.96 123.96 41.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.58 159.07 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.428 ' N ' HD23 ' A' ' 160' ' ' LEU . 2.8 m-85 -49.58 130.52 19.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 129.9 12.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -46.75 173.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -91.92 24.87 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.19 83.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -128.88 132.26 47.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 15.9 m-85 -156.89 176.06 13.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.54 118.86 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -111.63 80.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' C ' ' HB3' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -168.16 72.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.08 176.88 33.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 p90 -132.27 121.34 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.575 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -136.37 142.53 43.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -142.6 151.18 41.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD2' HG22 ' A' ' 56' ' ' VAL . 10.2 m-85 -105.62 104.84 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.0 m -93.54 131.39 32.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 131.63 14.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 48.47 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 59.23 87.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 86.54 -48.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -91.8 155.12 18.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 4.9 m -129.42 110.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.815 ' HG2' HG22 ' A' ' 72' ' ' THR . 1.9 mtpt -66.22 134.46 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 47' ' ' TYR . 68.2 t -129.96 130.72 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.3 m -131.89 118.09 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.6 mtp180 -113.56 136.69 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.08 119.49 5.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -159.51 -175.25 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 61' ' ' VAL . 17.9 m -115.55 99.19 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 27.8 mt -87.86 117.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 40.71 79.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.828 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.94 51.69 1.53 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.28 108.6 2.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -60.91 112.86 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -102.54 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.07 133.74 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -160.45 119.67 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.7 pt-20 -126.97 170.43 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.83 175.21 38.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' HG2' ' A' ' 55' ' ' LYS . 76.7 p -119.16 127.82 53.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -83.35 111.92 19.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.6 t80 -128.24 149.33 71.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 126.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 77' ' ' GLY . 1.1 t -72.23 -49.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.09 -132.61 4.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.74 115.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -43.08 -48.33 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -54.29 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.58 150.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -51.8 -106.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 45.2 58.94 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.774 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -109.49 112.81 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -96.44 144.22 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' THR . 13.1 m-70 -102.33 132.58 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.408 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 11.8 t -80.31 109.71 15.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 12.2 ptm180 -103.53 125.17 49.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.994 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.1 p -100.23 137.37 38.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' GLY . 1.5 t -121.84 162.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.8 57.81 0.35 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 173.94 -55.28 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -149.32 161.76 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.994 ' OG1' HG22 ' A' ' 89' ' ' THR . 16.2 m -102.91 140.08 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 4.5 tptt -125.46 143.52 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -96.28 112.68 24.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' HIS . 38.1 m -93.14 125.53 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.57 128.81 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.763 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 87.7 t80 -133.6 110.07 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -83.05 128.69 34.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 17' ' ' PHE . 54.3 t -101.24 101.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' HE1' ' A' ' 148' ' ' TYR . 10.5 mt -39.8 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.27 116.57 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -104.57 160.32 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -8.68 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 3.4 m-80 46.64 55.25 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 -70.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.502 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -143.62 21.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.878 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -159.61 145.63 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.695 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -141.26 133.99 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -124.3 149.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -164.82 126.69 1.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.946 ' HA ' HG22 ' A' ' 128' ' ' VAL . 7.0 t80 -107.94 113.06 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 17.6 t -126.92 155.13 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.403 ' SG ' ' CG ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -156.56 142.64 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 117' ' ' TYR . 2.4 tpt180 -126.73 131.82 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.42 ' N ' ' HD2' ' A' ' 116' ' ' ARG . 44.0 t80 -81.27 117.6 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 120' ' ' ASP . 1.5 m-20 -138.44 128.68 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 44.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -111.08 -48.16 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 163.95 -33.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.98 -151.56 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 124' ' ' HIS . 1.3 p-80 -101.02 174.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 109.625 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -117.35 113.89 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -94.84 103.02 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 115.29 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 113' ' ' TYR . 24.9 t -104.16 153.23 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.763 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -137.8 138.15 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 29' ' ' VAL . 50.0 t -120.73 121.68 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 130' ' ' VAL . 5.5 mt -103.18 153.12 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.8 t -149.28 158.15 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.21 -17.19 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -175.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.03 4.39 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 131.08 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.929 ' HG ' HG11 ' A' ' 29' ' ' VAL . 2.2 mt -72.7 137.22 45.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.605 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 18.8 p -151.63 -169.33 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.02 -156.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.07 -23.94 22.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.91 -29.52 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 138' ' ' THR . 1.5 mtmm -75.69 -26.01 57.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.3 m -82.99 -39.9 20.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.756 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.06 -46.39 75.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.878 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.7 t -71.62 -47.06 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -57.03 12.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.46 -54.47 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.679 ' HE1' HD13 ' A' ' 102' ' ' LEU . 16.8 t80 -56.75 -49.37 75.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.2 mt -56.12 -57.23 13.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LEU . 79.2 mt -39.4 -49.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.28 40.66 2.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.4 p -67.78 127.99 93.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.52 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.453 HG23 ' CE2' ' A' ' 113' ' ' TYR . 6.8 m -149.33 -43.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.88 102.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.29 103.96 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB3' HD22 ' A' ' 149' ' ' LEU . 1.4 p -54.4 -37.78 65.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.51 -16.67 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.9 OUTLIER -104.93 -39.94 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 155' ' ' VAL . 3.5 mt -44.99 169.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 3.4 t -147.31 136.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.679 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 2.8 m-85 -86.81 162.21 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.2 m -41.52 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.8 m-20 157.12 101.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 21.3 p90 -120.6 -48.12 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 79.96 146.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -35.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.05 -38.11 62.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.65 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -66.76 -54.92 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.63 -48.43 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.68 110.73 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.828 HG13 ' HA2' ' A' ' 64' ' ' GLY . 18.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 87.5 t80 -112.91 147.74 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 37.9 m-70 -148.34 168.92 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.655 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.77 142.7 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.94 -144.06 33.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -91.32 176.96 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 124' ' ' HIS . 59.2 m -40.89 152.32 0.25 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -171.27 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.814 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.756 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.1 mt-10 -75.53 124.51 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.6 m -162.06 110.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 112.43 21.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.0 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG13 HG12 ' A' ' 101' ' ' VAL . 13.8 m -56.84 130.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.5 t70 -66.06 -38.86 89.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -152.6 94.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.768 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -68.16 130.25 42.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.79 112.15 22.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CE3' HG21 ' A' ' 54' ' ' VAL . 28.9 m95 -69.27 -11.11 60.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 4.9 pm0 -102.34 62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 175.78 83.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.636 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.83 -164.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 -146.71 44.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 12.0 mtmt -79.97 118.87 22.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.7 m95 -135.78 134.93 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.463 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 6.8 m0 -117.83 127.85 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 15.2 mt-10 -46.0 155.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -121.84 -90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -106.54 101.33 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -128.6 168.0 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' O ' ' OH ' ' A' ' 39' ' ' TYR . 25.8 m-85 -74.51 131.64 79.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -74.98 114.04 3.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.94 171.39 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.94 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -84.05 7.66 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.82 76.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 14.1 ttpt -131.0 135.1 47.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 25.7 m-85 -166.04 171.58 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.62 108.09 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -104.26 80.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -172.28 42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -131.41 178.9 17.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -136.99 118.82 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -119.23 156.87 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.1 m-85 -102.19 124.68 48.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -99.71 109.56 55.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.04 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 50.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -164.88 12.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.39 163.17 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 49' ' ' PRO . 4.5 m -135.1 124.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -77.48 149.24 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' TYR . 46.9 t -139.43 136.38 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.0 m -131.22 117.62 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.733 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 ttm180 -106.55 140.34 39.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.75 120.27 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.38 -175.28 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.5 m -115.37 98.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.989 HD12 ' CG ' ' A' ' 67' ' ' TYR . 73.7 mt -81.08 117.02 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 m170 40.97 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.583 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 39.01 59.2 1.78 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.12 117.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.51 113.2 3.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.989 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -115.46 164.67 13.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -165.07 133.35 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.3 mmt -147.76 113.5 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 170.09 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 167.48 137.47 2.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.4 t -96.36 150.84 20.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -104.97 112.0 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 35.7 t80 -125.0 148.49 60.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -62.67 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.61 -126.78 2.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.14 111.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.7 p -45.85 -45.49 15.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.0 mttm -55.51 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -42.6 164.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.59 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.33 63.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.779 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.94 105.92 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.791 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -78.97 135.52 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.549 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -107.37 121.05 43.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.66 131.73 35.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 104.61 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.782 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.7 p -82.77 148.58 27.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -149.3 101.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.41 -94.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.98 36.94 2.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.89 95.66 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.5 m -105.77 131.25 53.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -140.02 145.39 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -95.6 115.92 28.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 24.3 m -100.26 141.05 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.83 139.62 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -131.75 110.51 10.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.73 102.0 13.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.768 HG21 ' HE2' ' A' ' 17' ' ' PHE . 43.1 t -83.55 92.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 148' ' ' TYR . 6.2 mt -35.44 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.464 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -163.06 114.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.94 160.5 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -90.54 -2.86 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 40.34 66.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 -70.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.648 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.5 m-80 -147.33 18.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.872 ' CD2' HG22 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.23 160.12 40.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.521 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -146.3 135.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.505 ' HB ' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.11 165.08 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.912 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.96 173.04 46.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 154' ' ' VAL . 11.9 t80 -151.58 111.9 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.01 165.22 13.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -157.19 135.81 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 16.8 ptt180 -104.07 121.84 44.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.74 125.62 27.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' LYS . 7.7 t0 -107.72 122.87 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.12 -51.65 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.16 -47.78 68.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -83.59 -17.0 43.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER 79.04 -56.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.93 -135.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 1.8 p-80 -160.74 174.12 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 76.2 m95 -125.81 160.76 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.8 149.83 22.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -175.16 115.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.912 HG21 ' C ' ' A' ' 112' ' ' GLY . 1.5 p -139.71 168.74 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.772 ' HD1' HD21 ' A' ' 131' ' ' LEU . 3.9 p90 -135.26 137.06 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.994 HG12 HG23 ' A' ' 29' ' ' VAL . 73.7 t -106.11 128.34 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -106.41 156.3 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.428 ' HB2' HG21 ' A' ' 29' ' ' VAL . 3.3 t -149.65 150.41 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.483 ' CB ' ' OD1' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -51.04 -57.04 9.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 m -99.8 173.91 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -26.47 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -122.78 144.77 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 145' ' ' VAL . 1.2 mt -67.63 133.52 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 81.5 p -151.33 -172.29 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 45.26 -170.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -46.73 -24.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.53 -32.0 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -71.12 -30.33 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.4 m -79.27 -37.95 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 137' ' ' LEU . 11.7 t -71.44 -48.71 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 150' ' ' ILE . 2.1 mm-40 -52.52 -57.03 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.69 -54.13 45.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.705 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 29.0 t80 -56.47 -49.98 73.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 157' ' ' SER . 22.7 mt -56.78 -56.53 20.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 149' ' ' LEU . 27.8 mt -37.76 -49.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.75 43.35 1.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.4 p -67.26 126.79 93.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.46 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.94 -26.31 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -156.11 -44.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.7 p -52.99 102.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 159' ' ' LYS . 0.4 OUTLIER -89.42 101.75 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 1.016 ' HB3' HD22 ' A' ' 149' ' ' LEU . 6.5 p -46.89 -41.19 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -52.96 -22.22 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -91.22 -47.5 7.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.2 mt -46.89 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' A' ' 33' ' ' PRO . 5.6 t -149.93 130.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.9 m-85 -78.87 157.4 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 14.0 m -41.47 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.4 OUTLIER 156.53 110.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.8 p90 -122.49 -47.52 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.1 OUTLIER 79.45 147.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -34.51 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.81 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -68.35 -57.86 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.756 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.1 OUTLIER -54.83 -48.77 72.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.322 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.64 120.22 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 170' ' ' CYS . 81.7 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 32' ' ' TYR . 1.8 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -111.63 102.24 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -102.26 169.66 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.67 144.92 27.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.48 -135.5 14.97 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.523 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -127.72 -173.0 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 137.95 3.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.98 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -79.79 110.95 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.63 115.22 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -75.33 113.55 26.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -74.96 175.49 11.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG13 HG12 ' A' ' 101' ' ' VAL . 3.3 m -52.88 129.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HA ' HD13 ' A' ' 81' ' ' ILE . 11.7 p-10 -65.29 -34.11 77.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.19 93.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.66 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -65.53 159.61 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -157.71 121.31 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -85.78 5.9 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -47.45 -47.28 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.049 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.75 -56.58 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -56.67 84.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -171.04 -173.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.2 -145.99 20.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.85 120.77 41.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' ' CD1' ' A' ' 110' ' ' ILE . 12.4 m95 -123.36 171.75 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 19.5 m0 -143.14 129.59 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mp0 -47.94 146.18 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.978 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -115.05 -80.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -132.4 113.82 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -137.35 150.45 47.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 2' ' ' VAL . 3.5 m-85 -42.82 134.03 2.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.95 122.19 7.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.1 178.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -42.85 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -104.09 20.48 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 42.24 78.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.63 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 pttt -128.59 120.76 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 9.8 m-85 -166.04 169.99 14.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.41 117.46 0.92 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 3.1 mptt -102.48 57.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.11 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.25 171.58 21.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -122.79 122.57 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -117.25 98.8 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.48 161.77 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -123.23 126.53 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -106.26 110.01 63.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.9 43.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -165.91 12.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -46.67 -30.56 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 158.98 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.754 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.6 m -136.76 117.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.11 139.4 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -130.21 123.26 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.707 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -116.29 133.36 56.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.59 120.6 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -146.85 -174.44 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' OE1' ' A' ' 66' ' ' GLU . 43.6 t -114.82 99.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.116 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -64.06 149.91 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' ILE . 18.4 m170 -36.99 88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 65.47 54.12 28.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.9 159.7 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.802 ' OE1' HG13 ' A' ' 61' ' ' VAL . 51.6 mm-40 -122.79 112.62 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.116 ' CD1' HD12 ' A' ' 62' ' ' ILE . 13.5 p90 -130.01 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 3.5 t80 -164.15 108.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.9 mmt -105.05 133.37 49.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.474 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -141.34 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.57 136.96 2.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.6 t -75.06 152.82 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . . . -102.06 114.09 27.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 19.7 t80 -129.66 149.5 73.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.1 t -66.41 -53.63 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.65 -119.4 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.19 114.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -50.99 -44.82 60.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.64 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.2 mm -44.99 154.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.75 -106.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.08 61.25 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.567 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -108.75 107.92 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.806 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.81 139.79 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 73' ' ' ALA . 9.6 m-70 -104.05 121.61 43.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.69 108.85 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 97' ' ' THR . 0.1 OUTLIER -103.37 116.94 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.571 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.62 145.16 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' GLY . 55.7 t -141.64 90.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.39 -86.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -129.75 33.31 3.0 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -144.52 94.54 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 89' ' ' THR . 22.6 m -90.31 135.15 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 135.11 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -95.28 107.21 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.53 HG21 ' NH1' ' A' ' 88' ' ' ARG . 65.8 m -94.17 140.22 30.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.03 127.51 61.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CE2' HG22 ' A' ' 101' ' ' VAL . 2.7 t80 -126.23 109.69 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.43 103.73 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG22 ' CE2' ' A' ' 99' ' ' PHE . 70.3 t -75.18 96.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.802 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.2 mt -35.9 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -166.87 89.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.43 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.1 t -77.05 154.62 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 106' ' ' ASN . 23.1 p-10 -94.0 -1.89 53.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 38.95 64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -62.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.796 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -139.87 -43.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.91 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -108.25 154.24 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.719 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -122.93 133.21 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.768 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.6 tp -111.03 131.93 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.54 164.53 31.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -152.44 113.18 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.6 p -125.97 138.99 53.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 139.25 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 127.98 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.03 138.95 46.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.93 125.72 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.44 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -50.1 -56.67 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -67.66 -20.39 65.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 80.32 -54.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.45 -141.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 7' ' ' ALA . 2.2 p80 -154.58 176.51 12.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -132.8 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -112.92 113.15 25.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 127' ' ' HIS . 2.6 p80 -130.59 104.74 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.9 OUTLIER -105.52 -178.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 128' ' ' VAL . 4.1 p90 -147.29 124.88 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.927 ' C ' HD23 ' A' ' 131' ' ' LEU . 85.3 t -105.7 124.16 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.927 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -112.44 149.86 31.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB3' HG22 ' A' ' 29' ' ' VAL . 2.0 t -149.86 151.03 32.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -52.19 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 m -104.51 -171.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.4 148.34 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.978 ' HG ' HG11 ' A' ' 29' ' ' VAL . 7.2 mt -75.08 142.43 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.734 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -154.73 -167.32 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 33.9 -151.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.143 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.08 -24.61 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -52.16 -45.79 65.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -63.64 -36.08 82.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.6 m -66.77 -49.37 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.91 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.35 -40.62 71.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.63 -39.38 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.17 -56.84 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -54.03 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.802 ' HE1' HD13 ' A' ' 102' ' ' LEU . 18.4 t80 -56.6 -49.51 74.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.1 mt -56.59 -56.8 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 98.0 mt -40.61 -48.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.39 39.72 2.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.2 p -68.74 115.65 32.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.96 7.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -146.1 -44.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.976 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.5 p -53.26 90.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.2 p30 -74.3 104.1 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.768 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.7 p -56.49 -43.17 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -52.81 -23.12 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -38.66 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.976 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.7 mt -47.21 170.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 31' ' ' LYS . 13.6 p -146.02 135.04 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.4 m-85 -92.99 161.98 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 28.9 p -39.27 160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.4 m-20 159.2 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 27.4 p90 -117.53 -42.3 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 71.77 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.48 -34.82 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.23 -35.16 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -75.84 -54.47 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -54.0 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.45 163.85 26.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 2' ' ' VAL . 36.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.7 t80 -74.84 156.79 36.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.459 ' NE2' ' OD2' ' A' ' 126' ' ' ASP . 79.7 m-70 -143.41 178.8 7.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.4 13.88 11.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.97 -137.41 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.76 -166.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.17 133.48 95.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.03 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.6 mt-10 -84.15 126.96 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -153.66 111.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -75.99 113.16 24.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.07 171.96 17.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.782 HG13 HG12 ' A' ' 101' ' ' VAL . 30.2 m -56.06 138.05 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -67.53 -42.53 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.8 p30 -152.25 89.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.957 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.5 OUTLIER -66.98 124.06 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.84 124.38 50.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 13.7 m95 -76.31 -3.78 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -50.5 -55.61 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -113.01 61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.9 OUTLIER 174.83 82.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -177.65 -158.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.564 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 65.06 -149.62 51.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 122.43 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 8.8 m95 -136.15 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.01 134.89 46.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 163.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -123.72 -77.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 161' ' ' VAL . . . -134.51 116.33 14.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.2 134.79 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' LYS . 50.9 m-85 -30.38 127.89 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' CG1' ' A' ' 161' ' ' VAL . 18.3 Cg_endo -75.04 143.12 28.56 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -59.22 178.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.02 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.7 t-20 -93.63 23.74 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.07 77.91 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -129.52 135.89 49.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 44.2 m-85 -167.82 173.38 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.98 108.13 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -103.29 63.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.6 m -163.57 51.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.32 177.41 22.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 10.3 p90 -130.64 142.18 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.588 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -144.52 114.95 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -113.07 159.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.731 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.8 m-85 -109.27 134.78 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -108.7 109.13 61.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 116.06 4.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.32 43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.01 -164.37 15.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -29.41 18.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -96.77 158.6 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 73' ' ' ALA . 35.1 m -133.0 121.78 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -75.89 148.64 38.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.731 HG21 ' CE2' ' A' ' 47' ' ' TYR . 17.6 t -140.02 136.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 p -131.34 117.82 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.588 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.1 ttt85 -109.65 143.37 39.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.96 120.78 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.09 -174.48 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.69 99.19 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.021 HD12 ' CG ' ' A' ' 67' ' ' TYR . 44.1 mt -82.66 122.53 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 m170 40.0 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 59.73 1.04 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -162.59 121.47 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.4 113.72 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.021 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.3 t80 -123.01 159.86 27.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 10.1 t80 -165.58 139.87 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 121.44 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.66 166.84 10.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -177.95 158.23 23.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.4 t -123.2 145.35 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -100.26 112.35 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 37.3 t80 -126.58 148.73 65.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.01 129.79 12.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.46 -46.96 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.01 -124.18 2.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 114.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 m -45.55 -50.89 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' ILE . 42.7 mttp -55.41 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 15' ' ' ASP . 16.8 mm -39.41 157.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.34 -106.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.41 59.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.8 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.12 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.698 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -81.14 137.85 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.711 ' O ' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -107.02 136.7 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.583 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 106.07 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.61 110.74 22.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.8 p -77.03 149.68 35.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 90' ' ' VAL . 3.1 t -139.51 90.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.24 50.47 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.17 -39.13 2.98 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -74.58 100.73 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 89' ' ' THR . 37.3 m -98.78 129.34 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -133.76 137.09 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -96.5 104.9 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 86' ' ' HIS . 13.2 t -91.49 141.38 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.7 127.68 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 40.0 t80 -124.89 110.55 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -86.35 108.14 18.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.782 HG12 HG13 ' A' ' 14' ' ' VAL . 66.7 t -78.04 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -31.13 -86.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -154.5 73.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.957 HG21 ' CE1' ' A' ' 17' ' ' PHE . 9.6 t -53.8 144.67 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.462 ' C ' ' ND2' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -77.82 -35.7 51.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' A' ' 104' ' ' THR . 3.4 m-80 71.25 49.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -78.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.812 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 2.1 m-80 -123.52 -42.58 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 1.176 ' CE2' HG23 ' A' ' 145' ' ' VAL . 2.6 t80 -110.07 143.66 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.716 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -112.49 135.88 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.813 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -109.86 133.9 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.509 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -159.1 167.7 34.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.487 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 48.8 t80 -149.89 132.86 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 148.74 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -147.2 131.69 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.348 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -101.63 141.58 34.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.33 130.16 34.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.73 96.79 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.62 59.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -110.48 14.1 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 80.07 72.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.62 -137.49 3.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 3.8 p-80 -161.33 179.12 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.592 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 4.6 m95 -142.01 148.08 37.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . 60.1 m-20 -108.2 153.08 23.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 127' ' ' HIS . 1.0 OUTLIER -161.21 94.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 112' ' ' GLY . 1.4 p -98.89 157.83 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.752 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 1.4 p90 -120.68 146.24 46.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 99.1 t -124.92 125.2 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -117.4 141.86 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.617 ' OG ' HG13 ' A' ' 29' ' ' VAL . 88.2 p -143.01 148.99 37.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -42.44 63.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 m -102.01 175.26 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -17.09 64.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.41 157.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 109' ' ' TYR . 2.0 mt -75.73 134.68 40.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.754 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -153.32 -168.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.39 -167.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.83 -24.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -51.94 -45.18 64.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -55.19 -34.89 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.4 m -65.16 -49.08 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.28 -35.42 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.176 HG23 ' CE2' ' A' ' 109' ' ' TYR . 0.7 OUTLIER -78.46 -39.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -57.33 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.63 -53.44 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 111' ' ' ILE . 13.2 t80 -55.35 -51.85 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.7 -56.42 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LEU . 38.9 mt -39.91 -49.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.24 42.92 1.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.3 p -66.19 115.51 24.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.614 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -75.03 -17.1 19.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -164.49 -40.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 160' ' ' LEU . 5.7 p -51.12 106.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.54 106.09 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.0 p -57.65 -48.33 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -53.35 -20.03 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.41 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 1.054 HD11 HG22 ' A' ' 155' ' ' VAL . 3.2 mt -56.26 172.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.622 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 7.5 p -146.79 157.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 163' ' ' SER . 13.9 m-85 -117.72 162.37 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 162' ' ' TYR . 43.4 p -41.82 164.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.3 OUTLIER 162.82 94.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 21.1 p90 -119.04 -47.78 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.6 OUTLIER 68.93 152.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.008 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -34.47 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.78 -28.39 48.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -81.28 -55.75 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -39.57 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -65.62 111.5 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 23.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 9.5 t80 -116.42 141.83 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 5.8 m-70 -137.61 162.7 33.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.593 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.39 145.88 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.78 -135.9 12.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.54 175.75 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -42.78 139.3 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.03 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.5 mt-10 -73.68 122.23 22.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.4 m -154.38 113.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' HD23 ' A' ' 102' ' ' LEU . 9.7 tttp -75.01 113.06 21.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 167.17 27.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HG12 ' A' ' 101' ' ' VAL . 14.3 m -55.53 122.9 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.713 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -66.24 -29.11 69.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -155.99 89.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -67.23 157.16 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -158.18 120.96 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' HG11 ' A' ' 54' ' ' VAL . 1.6 m95 -87.07 6.34 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 3.3 m -46.88 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -88.16 -61.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.625 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -56.04 96.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.554 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.97 -156.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.601 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 64.61 -138.96 40.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -99.53 132.92 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 0.727 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.947 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 13.8 m95 -137.03 151.76 49.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.017 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -125.2 128.74 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.97 158.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -118.3 -83.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -134.21 116.45 15.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 15.2 pttt -143.4 143.56 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.073 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 92.3 m-85 -35.73 139.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.99 -170.69 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -126.99 176.85 2.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.96 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.78 27.57 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.62 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 113.05 25.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 21.0 m-85 -157.02 170.88 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.76 121.42 0.87 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -124.84 57.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 0.724 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -159.45 62.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 60' ' ' ASP . . . -150.76 178.1 28.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.3 p90 -123.46 119.26 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -132.63 121.04 22.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 6.9 mt-10 -123.19 157.78 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.27 130.6 55.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.9 m -121.92 109.18 34.05 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.9 19.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.96 120.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 53' ' ' SER . . . 68.95 45.9 61.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 3.4 mttp 74.88 -41.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -81.88 162.94 22.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 73' ' ' ALA . 4.2 m -131.81 113.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 149.29 48.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 41.4 m -121.67 117.54 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 2.9 ttt85 -112.55 139.71 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -152.95 118.84 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.983 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 2.0 p30 -155.78 -175.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.1 m -114.82 98.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.91 HD12 ' CG ' ' A' ' 67' ' ' TYR . 15.4 mt -80.66 124.15 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 6.4 m170 38.75 73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 67.04 0.56 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.66 123.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.76 114.9 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.91 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -120.77 161.98 20.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 90.9 t80 -165.37 124.2 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 ttp -139.68 107.93 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.13 170.06 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 171.11 160.57 19.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.7 t -115.86 146.55 41.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.684 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -97.29 112.61 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 37.4 t80 -127.1 148.29 65.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.57 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 130.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.65 -51.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -127.11 -122.35 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.71 116.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.7 m -55.28 -52.99 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -48.79 -61.16 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.713 HD13 ' HA ' ' A' ' 15' ' ' ASP . 24.3 mm -57.89 165.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 81' ' ' ILE . . . -65.12 -105.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.83 61.22 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.727 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.47 108.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.85 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.14 134.14 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -105.92 125.98 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 129.53 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.703 ' HD3' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -129.73 104.38 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.624 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.6 p -89.92 145.59 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.703 HG23 ' HD3' ' A' ' 88' ' ' ARG . 4.9 t -141.14 100.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.45 -91.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -121.42 34.79 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -144.19 101.21 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.624 ' OG1' HG22 ' A' ' 89' ' ' THR . 38.3 m -107.94 129.56 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -135.88 142.6 44.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' ' CZ ' ' A' ' 85' ' ' TYR . 19.4 mtpt -95.84 113.16 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 23.3 m -93.34 140.94 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.5 t -105.02 109.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.886 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 9.5 t80 -113.2 110.05 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -96.75 107.95 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.886 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 63.3 t -74.0 104.32 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.719 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.8 mt -37.37 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.405 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -154.03 87.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.683 HG21 ' HE1' ' A' ' 17' ' ' PHE . 14.2 t -73.49 141.05 46.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.08 -14.55 46.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.649 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.7 OUTLIER 49.98 70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.43 -74.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.17 -40.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.827 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -110.19 160.23 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.947 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -128.59 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.827 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.0 tp -121.03 114.09 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.758 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -143.46 139.88 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.445 ' CD1' HG11 ' A' ' 11' ' ' VAL . 16.7 t80 -124.18 134.47 53.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 128' ' ' VAL . 3.9 t -142.95 158.97 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 124.48 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -97.13 136.8 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 5.0 t80 -84.76 140.34 31.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.78 111.0 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -74.86 -56.17 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -52.96 58.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -17.94 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.68 91.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 133.68 -141.13 12.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -155.81 172.47 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 65.0 m95 -129.68 160.18 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.455 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 15.9 t0 -105.9 105.84 16.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -110.82 94.95 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 112' ' ' GLY . 48.7 t -113.79 149.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.476 ' HD1' HD21 ' A' ' 131' ' ' LEU . 15.0 p90 -138.96 117.75 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.843 ' C ' HD23 ' A' ' 131' ' ' LEU . 97.5 t -97.53 130.85 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -105.26 160.74 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' HD13 ' A' ' 137' ' ' LEU . 4.2 t -149.8 144.76 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -48.25 -27.01 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -172.14 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 49.6 mtt -68.34 -18.05 64.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.99 136.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.653 HD23 HG11 ' A' ' 145' ' ' VAL . 7.3 tp -72.97 138.32 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.2 p -152.84 -169.91 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.24 -157.08 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -56.27 -22.05 27.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.773 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.24 -45.15 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -59.85 -27.56 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 6.9 m -74.75 -49.86 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.774 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -37.04 65.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -72.06 -57.45 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.59 -51.52 47.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.719 ' HE1' HD13 ' A' ' 102' ' ' LEU . 22.7 t80 -54.59 -49.67 69.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 145' ' ' VAL . 11.5 mt -55.79 -37.9 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 146' ' ' GLU . 81.8 mt -63.28 -49.64 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.54 27.23 21.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.745 ' HB2' HG12 ' A' ' 155' ' ' VAL . 81.2 p -78.11 139.99 61.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.706 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.98 -14.41 21.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.01 -100.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.853 HG22 HD11 ' A' ' 160' ' ' LEU . 8.4 p 29.58 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -75.1 101.19 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.1 p -58.69 -46.04 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -52.27 -41.11 62.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -76.37 -39.06 54.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.853 HD11 HG22 ' A' ' 155' ' ' VAL . 2.1 mt -46.0 166.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 58.4 t -149.65 120.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.5 m-85 -70.67 161.12 31.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' VAL . 82.7 p -39.09 158.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 174.68 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 45.8 p90 -102.64 -46.25 4.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 67.58 150.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -34.51 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.08 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -68.09 -56.73 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -53.36 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -47.82 122.84 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.534 HG21 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 7.8 t80 -110.89 158.47 18.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 42.2 m-70 -148.16 -178.35 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.55 17.12 7.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.82 -136.96 3.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.8 -171.64 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -52.07 132.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.01 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -82.25 118.66 23.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -146.93 114.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -75.83 113.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 172.74 15.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 101' ' ' VAL . 9.4 m -55.32 135.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.571 ' HA ' HD13 ' A' ' 81' ' ' ILE . 6.2 p-10 -67.65 -40.61 84.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -154.21 90.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 134.43 52.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.09 124.61 45.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.0 m95 -86.01 8.9 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 22' ' ' TYR . 5.2 pp0? -100.83 -48.06 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -57.46 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -175.21 -156.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 -144.3 45.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HZ1' ' HZ2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -91.96 135.64 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 110' ' ' ILE . 10.3 m95 -137.54 170.94 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -141.72 120.69 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mt-10 -48.6 156.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.962 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -117.59 -70.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 162' ' ' TYR . . . -153.11 129.55 10.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.582 ' HE3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -153.35 170.62 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' CE2' HG21 ' A' ' 2' ' ' VAL . 2.6 m-30 -56.45 127.14 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -175.44 2.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -127.92 174.53 4.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.2 m-20 -91.93 19.87 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.23 91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -116.65 116.41 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 12.4 m-85 -169.14 170.17 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.0 109.26 0.4 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -109.37 83.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.6 p 159.03 48.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.88 177.46 18.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -118.39 124.16 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -142.11 138.78 31.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -138.61 160.65 39.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -115.7 121.16 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 94.5 m -111.35 130.79 22.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.17 17.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.09 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 69.11 85.01 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 83.76 -48.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -87.95 159.05 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 73' ' ' ALA . 32.9 m -133.83 116.38 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -71.32 147.63 47.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 66.9 t -137.73 129.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.4 p -125.96 118.38 25.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 137.41 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.09 120.45 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 111.001 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -175.03 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 170' ' ' CYS . 1.8 m -107.44 103.14 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.919 HD12 ' CG ' ' A' ' 67' ' ' TYR . 65.0 mt -86.94 129.81 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.8 m170 39.38 70.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 38.94 58.87 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -165.03 127.31 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.5 112.82 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.919 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -121.36 159.5 25.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 7.8 t80 -165.23 136.03 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.474 ' HE1' ' HD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -150.69 150.7 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 15.8 mt-10 -140.67 163.7 32.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 168.56 128.86 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 13.1 t -81.3 163.02 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.602 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -115.0 112.35 22.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 43.9 t80 -126.61 149.29 67.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.86 -51.07 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.11 -127.86 4.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.59 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.7 p -40.56 -48.94 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' ILE . 18.1 mttt -55.29 -72.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' ASP . 41.9 mm -40.32 161.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -62.48 -104.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 42.01 54.96 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.71 107.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.646 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -86.28 140.54 30.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.593 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 1.3 t60 -104.89 115.7 30.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.4 104.75 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -100.16 120.41 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.886 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.7 p -92.21 149.22 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.1 92.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 39.73 58.03 2.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.73 -34.55 4.32 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.67 94.5 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.886 ' OG1' HG22 ' A' ' 89' ' ' THR . 4.1 m -95.88 134.49 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 138.3 54.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -95.6 100.47 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' HIS . 26.1 m -94.96 130.85 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.73 121.6 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.715 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 89.8 t80 -123.89 109.49 13.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.41 124.92 33.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 14' ' ' VAL . 55.4 t -92.3 96.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.5 mt -32.59 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.06 112.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.429 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.8 t -104.73 150.19 24.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -80.19 -3.0 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 6.8 p30 38.94 49.73 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -66.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -132.56 -45.27 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.911 ' HB2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -99.88 160.95 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.89 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -143.97 137.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -120.53 169.69 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.41 40.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.482 ' HA ' ' CG1' ' A' ' 128' ' ' VAL . 9.6 t80 -155.59 118.26 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 p -142.99 152.01 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 1.7 p -155.99 146.79 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -116.75 140.99 48.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -70.08 105.72 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.58 100.57 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 55.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 16.94 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 80.49 87.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.11 -131.98 3.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 2.6 p-80 -163.2 179.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 3.5 m95 -141.38 137.57 32.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.027 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.53 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 34.2 t70 -98.48 149.35 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 96.4 m-70 -159.45 102.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.8 OUTLIER -104.16 -176.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.715 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.8 p90 -151.94 141.29 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.031 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -117.71 133.25 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.031 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -118.78 146.55 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 29.7 t -149.95 157.82 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.53 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.64 174.0 11.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 ptp -64.11 -19.85 65.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.962 ' HG ' HG11 ' A' ' 29' ' ' VAL . 1.6 mt -72.19 144.26 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.791 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.5 p -154.53 -172.18 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 34.65 -151.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.69 -25.62 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.29 -41.52 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.1 m -62.38 -48.33 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -45.27 74.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 137' ' ' LEU . 0.5 OUTLIER -72.0 -42.15 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.6 -57.58 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.51 -53.68 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 1.055 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 10.9 t80 -56.22 -50.67 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 157' ' ' SER . 44.0 mt -55.6 -57.43 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 88.2 mt -39.69 -49.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.83 41.03 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -68.8 113.18 14.33 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.745 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -17.9 19.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 153' ' ' PRO . 5.2 m -161.45 -41.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 1.055 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 2.3 p -53.06 94.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -77.87 112.34 14.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.8 p -67.48 -45.09 76.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -52.5 -34.12 48.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -83.48 -39.98 19.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.791 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.2 mt -46.61 171.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 7.9 t -145.36 145.48 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.63 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 2.1 m-85 -100.91 162.55 12.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 162' ' ' TYR . 13.9 m -36.28 153.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 162.77 87.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.5 p90 -114.5 -49.26 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 79.85 141.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -34.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.37 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -60.96 -58.01 10.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.601 ' O ' HG23 ' A' ' 172' ' ' VAL . 7.0 m -61.66 -51.29 69.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.89 113.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 170' ' ' CYS . 85.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 126' ' ' ASP . 27.6 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -110.38 148.44 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 6.2 m-70 -148.25 163.67 36.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.633 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.6 17.69 19.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.52 -134.26 4.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.619 ' C ' ' CE1' ' A' ' 124' ' ' HIS . . . -136.5 152.78 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.63 ' N ' ' CE1' ' A' ' 124' ' ' HIS . 0.0 OUTLIER -34.52 137.94 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -86.16 147.43 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 ' CE1' ' A' ' 113' ' ' TYR . 3.7 m -162.56 110.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -68.15 111.06 6.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.05 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.801 HG13 HG12 ' A' ' 101' ' ' VAL . 4.8 m -56.56 135.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -66.04 -41.41 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -156.25 94.79 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.775 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.98 129.59 40.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.12 116.07 24.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.472 ' CE3' HG21 ' A' ' 54' ' ' VAL . 11.7 m95 -71.35 -11.81 61.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.9 m -48.75 -46.73 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 106' ' ' ASN . 2.0 pm0 -120.41 61.68 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.744 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 175.38 84.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -175.38 -168.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -140.02 27.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -86.24 121.31 28.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 14.6 m95 -136.48 122.71 20.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 10.0 m0 -104.17 135.45 45.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -55.97 154.45 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.887 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -111.78 -82.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -136.39 118.51 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.704 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -135.56 170.01 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 13.2 m-85 -60.19 138.45 91.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -73.53 177.96 1.78 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.0 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -94.92 20.93 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.78 75.7 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.3 124.19 49.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 62' ' ' ILE . 15.4 m-85 -154.37 177.01 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.45 120.74 0.53 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 163' ' ' SER . 0.1 OUTLIER -95.29 -138.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.0 m 45.39 52.07 9.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -117.49 177.63 16.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -153.89 118.43 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.06 165.74 21.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.75 159.79 39.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.88 ' CD2' HG22 ' A' ' 56' ' ' VAL . 4.6 m-85 -121.75 134.59 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -110.43 109.59 58.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.37 5.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.52 54.31 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.57 -171.44 13.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -46.78 -31.27 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -94.38 155.41 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CE3' ' A' ' 19' ' ' TRP . 7.8 m -130.77 117.41 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -63.43 148.93 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.88 HG22 ' CD2' ' A' ' 47' ' ' TYR . 59.4 t -136.03 134.15 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.54 118.32 19.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 135.32 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.21 120.32 5.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 18.8 p30 -159.79 -174.51 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.597 HG11 HG22 ' A' ' 172' ' ' VAL . 48.6 t -109.5 138.1 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.867 HD12 ' CG ' ' A' ' 67' ' ' TYR . 33.1 mt -126.97 117.28 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLY . 6.7 m170 40.28 78.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 54.42 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.4 113.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.14 120.09 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.867 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -116.44 159.71 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 27.9 t80 -165.72 138.46 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.83 141.17 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 174.84 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.23 179.58 39.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -134.87 138.39 44.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -94.68 122.25 37.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 27.2 t80 -133.96 148.22 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.616 HG23 ' HD2' ' A' ' 85' ' ' TYR . 1.1 t -61.02 -50.24 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.43 -124.96 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 111.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -45.15 -47.59 12.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ILE . 4.1 mptt -56.34 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.63 156.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.51 -108.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.17 56.01 7.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.663 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.73 107.62 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.616 ' HD2' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -90.56 141.05 29.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -107.51 134.06 51.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -86.75 104.72 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.963 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 114.74 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.954 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -93.49 144.68 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.08 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' GLY . 35.0 t -141.11 94.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.68 -80.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -138.26 33.4 2.24 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -141.47 96.38 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.954 ' OG1' HG22 ' A' ' 89' ' ' THR . 53.9 m -93.96 128.39 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -131.91 135.35 46.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.9 mptt -95.02 106.96 18.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 86' ' ' HIS . 15.2 t -92.92 137.75 32.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.3 t -87.03 125.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 22.5 t80 -124.61 108.99 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.97 102.9 15.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.801 HG12 HG13 ' A' ' 14' ' ' VAL . 24.2 t -72.85 101.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' VAL . 3.7 mt -38.07 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.41 111.72 3.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.515 HG21 ' CE1' ' A' ' 17' ' ' PHE . 11.8 t -106.7 136.07 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 4.2 t0 -74.17 -4.23 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 21' ' ' GLN . 3.1 p30 41.61 73.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -78.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.799 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -124.36 -38.43 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.558 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -105.26 154.2 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.792 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -142.47 141.01 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.682 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -122.9 136.39 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -131.53 171.31 21.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.953 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -161.54 133.45 5.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.43 -176.52 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.2 p -156.87 162.89 39.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -139.73 109.41 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.99 131.35 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.15 98.91 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.98 -13.54 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.72 -52.02 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -99.48 -7.02 26.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 88.5 -50.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -60.01 -139.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.63 ' CE1' ' N ' ' A' ' 8' ' ' CYS . 9.4 p-80 -164.13 178.25 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.9 m95 -131.94 159.79 37.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' A' ' 2' ' ' VAL . 14.8 t70 -119.18 140.98 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.19 134.25 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -135.29 179.38 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.753 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 p90 -142.84 128.29 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.949 ' C ' HD23 ' A' ' 131' ' ' LEU . 84.8 t -101.85 135.73 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.949 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -111.06 156.54 21.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.534 ' HB3' HD13 ' A' ' 137' ' ' LEU . 6.4 p -146.4 145.59 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -50.07 -54.32 21.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.5 m -105.52 -165.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.504 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.72 -21.27 60.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.404 HG12 HG22 ' A' ' 138' ' ' THR . 2.1 t -131.45 150.06 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 HG11 ' A' ' 145' ' ' VAL . 2.7 tp -75.81 131.16 39.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.75 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -150.55 -169.66 3.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 141' ' ' ALA . . . 42.92 -166.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -47.09 -23.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -54.78 -35.53 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.409 ' O ' HG12 ' A' ' 145' ' ' VAL . 10.7 mtpt -68.89 -25.57 64.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.2 m -75.98 -52.59 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.17 -40.31 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.606 HG11 HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.34 -37.3 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -56.34 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.85 -49.71 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.941 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 20.5 t80 -56.18 -52.91 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.5 mt -55.14 -56.99 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -40.69 -47.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.38 39.53 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.571 ' HB2' HG13 ' A' ' 155' ' ' VAL . 6.0 p -71.72 123.09 88.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.686 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.3 Cg_endo -75.07 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.443 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -114.12 -34.43 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 1.8 p -54.92 92.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.537 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.8 115.89 14.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 160' ' ' LEU . 7.4 p -74.37 -48.43 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -52.9 -19.82 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -99.07 -38.65 8.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 157' ' ' SER . 3.5 mt -45.55 170.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 65.3 t -144.37 119.77 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -76.5 162.47 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 86.1 p -40.56 162.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 m-20 156.83 100.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 166' ' ' SER . 24.1 p90 -108.98 -52.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.488 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 74.02 149.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -45.2 -35.52 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.54 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -82.62 -56.89 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -57.56 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.5 OUTLIER -66.93 119.05 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.597 HG22 HG11 ' A' ' 61' ' ' VAL . 12.9 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CE3' ' A' ' 125' ' ' TRP . 4.3 t80 -105.34 139.71 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -138.3 158.93 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -104.3 143.55 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 91.59 -140.08 15.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.29 -168.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 155.69 61.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 11' ' ' VAL . 10.1 mt-10 -82.17 124.68 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.6 m -161.52 112.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -76.19 113.0 24.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.06 166.16 29.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.678 HG21 ' CD2' ' A' ' 17' ' ' PHE . 11.6 m -48.62 126.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.9 p-10 -64.76 -37.11 86.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -156.85 87.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.739 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.74 154.08 41.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -121.68 120.6 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.434 ' CH2' HG21 ' A' ' 84' ' ' ILE . 33.4 m95 -69.42 -27.98 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.562 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -57.43 -67.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.701 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -56.04 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -44.96 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -170.49 -174.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.41 -133.61 12.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 5.8 mtmt -94.91 141.83 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.794 ' CE3' HD12 ' A' ' 110' ' ' ILE . 39.3 m95 -151.68 116.28 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 135' ' ' MET . 0.1 OUTLIER -97.8 141.27 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 33.9 mt-10 -64.29 156.19 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.934 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -121.51 -85.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -120.75 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -142.24 149.96 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -49.25 132.78 16.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.47 169.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.69 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.75 1.93 24.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 78.4 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 17.6 mttm -130.03 136.33 49.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 18.7 m-85 -166.13 173.44 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.66 119.72 0.71 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 19.6 ttpt -107.67 69.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 41' ' ' LYS . 52.8 m -160.36 49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.06 177.22 30.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -132.32 158.36 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -146.96 100.83 3.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.25 156.4 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.6 m-85 -118.78 129.97 55.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.7 m -119.22 109.31 39.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 129.76 12.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.5 124.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 78.48 34.19 36.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER 82.06 -44.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.06 168.77 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 73' ' ' ALA . 14.9 m -125.7 112.0 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 149.25 49.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 47' ' ' TYR . 41.6 t -138.57 128.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.5 m -120.89 117.74 28.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -109.72 138.31 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -153.44 119.65 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -155.09 -174.81 5.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 61' ' ' VAL . 7.5 p -124.72 98.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' CB ' ' A' ' 67' ' ' TYR . 4.1 mt -81.96 124.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER 39.14 75.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.81 51.78 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.23 118.69 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.0 118.31 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CB ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -121.72 163.2 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -165.03 141.96 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 122.04 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.17 168.58 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 178.1 159.98 23.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -122.68 137.43 54.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.372 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -90.88 125.18 35.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.621 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 58.8 t80 -142.25 148.68 48.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.621 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 133.78 17.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -81.01 -49.31 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.43 -131.42 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.1 m-20 -44.6 107.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 1.8 m -38.96 -60.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -66.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 15' ' ' ASP . 3.5 mm -49.31 159.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.07 -110.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.34 57.43 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.697 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -105.19 112.56 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -92.29 141.12 28.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -112.7 127.28 56.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 118.14 21.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.96 107.6 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.65 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.4 p -86.11 149.13 25.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' GLY . 84.5 t -149.76 94.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.7 -89.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -125.88 35.65 2.95 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -145.42 93.07 2.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 0.788 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.65 ' CG2' HG22 ' A' ' 89' ' ' THR . 74.4 m -110.9 126.44 54.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 146.45 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.92 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 89.1 m -97.97 129.21 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.459 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 85' ' ' TYR . 5.9 p -91.23 125.47 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 84.1 t80 -119.64 111.48 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -85.03 115.34 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 17' ' ' PHE . 53.9 t -89.04 105.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 HG12 ' A' ' 11' ' ' VAL . 10.1 mt -39.5 -90.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.35 66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.616 HG23 ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -50.3 160.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.1 -18.94 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.701 ' ND2' HE22 ' A' ' 21' ' ' GLN . 0.5 OUTLIER 53.49 42.54 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -45.41 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.871 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -154.04 -45.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.81 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -106.69 153.32 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.794 HD12 ' CE3' ' A' ' 26' ' ' TRP . 1.1 mt -122.74 122.42 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.81 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.7 tp -103.84 116.57 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -135.37 -179.79 16.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.574 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 11.4 t80 -167.39 122.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 15.7 p -144.86 149.53 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 12.2 p -154.42 131.65 11.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.2 137.4 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 37.7 t80 -71.82 131.94 43.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -143.96 99.55 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.13 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -61.97 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -113.47 -48.12 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 169.43 82.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.67 -138.74 7.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.2 p80 -156.29 177.45 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.415 ' CE3' ' CD1' ' A' ' 3' ' ' TYR . 9.6 m95 -121.34 163.01 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.023 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.65 141.32 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -152.64 102.97 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.61 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 129' ' ' TRP . 11.9 p -107.62 164.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.77 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 7.2 p90 -133.63 119.28 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.942 ' C ' HD23 ' A' ' 131' ' ' LEU . 95.9 t -93.96 132.57 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.942 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -110.79 158.37 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.566 ' OG ' HG13 ' A' ' 29' ' ' VAL . 15.6 p -149.98 129.86 13.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -35.84 -55.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -101.6 -178.43 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.511 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 7.3 ptt? -62.07 -23.37 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.86 150.9 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.599 ' HB2' HG11 ' A' ' 29' ' ' VAL . 5.8 tp -74.71 136.37 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.9 p -151.81 -166.37 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.66 -156.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.17 -20.52 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.871 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -53.88 -47.29 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -57.81 -34.47 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.0 m -70.18 -46.54 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.777 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.7 -38.24 69.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.88 -34.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.15 -57.93 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -49.6 -54.13 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 111' ' ' ILE . 21.1 t80 -55.87 -49.65 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.0 mt -56.73 -44.62 81.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.55 -49.33 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.36 35.9 4.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.51 ' HB2' ' CG1' ' A' ' 155' ' ' VAL . 23.6 p -78.09 139.99 61.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.744 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.06 -14.25 21.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.28 -105.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.715 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.8 p 24.06 88.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.58 105.41 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.938 ' HA ' HD12 ' A' ' 160' ' ' LEU . 14.2 p -61.63 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -52.42 -21.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -44.19 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.0 mt -50.99 176.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.592 HG21 ' HG3' ' A' ' 33' ' ' PRO . 90.6 t -149.78 118.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -68.03 161.13 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 59.0 m -39.25 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.93 98.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 24.9 p90 -121.31 -47.77 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 73.06 148.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -33.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.56 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.15 -56.79 15.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.452 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -57.3 -49.62 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.67 123.21 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 170' ' ' CYS . 18.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' A' ' 4' ' ' HIS . 9.7 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.597 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 55.7 t80 -97.31 147.14 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 1.1 m-70 -150.12 169.42 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.35 146.37 28.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.2 -132.16 11.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.92 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -43.99 140.08 2.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.26 117.46 17.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 102' ' ' LEU . 2.3 m -150.88 111.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -75.47 112.52 19.46 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.94 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.776 HG13 HG12 ' A' ' 101' ' ' VAL . 16.6 m -55.56 134.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 81' ' ' ILE . 9.4 p-10 -66.41 -43.66 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -150.89 92.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.669 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -67.61 135.97 53.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.9 117.9 31.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 54' ' ' VAL . 71.2 m95 -73.26 -22.33 60.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 107.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.534 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -47.45 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 3.0 pm0 -71.25 -95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -36.1 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -173.92 -172.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.64 -147.98 33.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 126.17 37.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.6 m95 -127.41 143.72 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 42' ' ' CYS . 11.2 m0 -117.82 134.62 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.74 152.01 43.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.035 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -123.63 -89.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -103.11 82.05 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 166.93 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 5.1 m-85 -76.2 152.8 84.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.651 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 2.99 5.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER 80.62 171.76 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLY . 35.2 t30 -90.4 24.27 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.49 46.55 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 30.1 ttpt -129.74 123.61 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.651 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 37.9 p90 178.88 179.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.62 171.22 38.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -118.7 -148.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER 39.86 57.48 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.28 175.5 15.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 6.9 p90 -138.75 120.24 14.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . -142.06 127.38 18.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -116.76 161.16 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.12 126.76 49.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m -118.43 110.15 39.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 134.57 17.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.27 113.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 88.47 27.44 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 88.8 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.48 179.68 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.507 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.1 m -139.2 119.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.39 148.88 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.59 129.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 4.5 p -131.58 120.37 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -120.72 135.8 55.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -153.56 120.49 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -159.23 -174.8 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.764 HG12 ' OE2' ' A' ' 66' ' ' GLU . 3.5 m -115.71 122.36 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.09 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -80.58 151.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 169' ' ' ALA . 46.2 m-70 -35.89 87.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 71.24 53.88 9.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -173.96 169.5 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.764 ' OE2' HG12 ' A' ' 61' ' ' VAL . 1.1 mm-40 -130.13 112.87 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.09 ' CD1' HD12 ' A' ' 62' ' ' ILE . 17.0 p90 -129.1 152.09 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -160.61 108.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.77 140.32 49.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -127.83 164.92 21.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 87' ' ' SER . . . 179.61 -140.44 4.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 5.1 t -158.88 156.11 28.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -107.2 118.22 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.8 t80 -130.29 148.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.04 122.08 6.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.816 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -66.75 -50.56 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -117.2 -131.4 4.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.85 124.16 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 p -51.52 -47.72 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -55.23 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -40.39 161.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.96 -104.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.99 61.52 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -106.79 107.18 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.816 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -80.77 135.21 35.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -106.39 124.54 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.58 143.64 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.33 104.3 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.623 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.6 p -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.3 p -148.2 133.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.53 -101.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.27 35.95 3.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 140.04 32.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.623 ' OG1' HG22 ' A' ' 89' ' ' THR . 6.7 m -127.1 126.0 42.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -126.52 138.25 53.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.62 120.5 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 86' ' ' HIS . 2.0 m -102.93 138.23 40.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 76' ' ' VAL . 64.8 t -99.18 128.45 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.795 ' CE2' ' CZ2' ' A' ' 129' ' ' TRP . 37.7 t80 -129.6 109.73 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -91.29 102.57 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 14' ' ' VAL . 10.0 t -73.08 102.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 11' ' ' VAL . 6.4 mt -37.25 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.58 101.78 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.6 t -94.78 152.93 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.44 -12.17 46.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER 49.24 47.45 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.03 -67.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -130.24 -43.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 1.025 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -108.59 159.6 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.613 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -135.68 136.99 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.553 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -117.5 127.11 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 1.002 ' O ' HG23 ' A' ' 128' ' ' VAL . . . -149.45 116.11 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.485 ' CZ ' ' CG ' ' A' ' 126' ' ' ASP . 20.8 t80 -100.33 124.15 45.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.586 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -127.59 160.82 30.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -156.54 130.76 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -102.3 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 3.8 t80 -93.73 127.59 39.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -104.36 125.02 50.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -55.37 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.32 -59.18 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 117' ' ' TYR . 0.0 OUTLIER 77.51 -56.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.36 -154.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.107 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -143.25 178.14 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 17.4 m95 -143.63 130.88 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -95.55 152.65 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 47.7 m80 -164.61 96.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 112' ' ' GLY . 7.2 p -97.36 146.01 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.795 ' CZ2' ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -122.29 147.47 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -120.44 124.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 129' ' ' TRP . 9.5 mt -103.92 157.15 17.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.509 ' OG ' HG13 ' A' ' 29' ' ' VAL . 36.9 p -149.99 129.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -38.3 -51.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -106.54 176.47 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -24.84 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.436 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 1.4 t -152.17 128.23 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.15 144.52 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.471 ' HA ' ' CD ' ' A' ' 142' ' ' LYS . 9.6 p -144.41 171.68 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.06 -140.21 39.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -54.58 -30.24 53.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -60.58 -39.01 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 138' ' ' THR . 1.2 mtpm? -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 9.0 m -68.19 -32.71 73.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.434 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 1.025 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.0 -45.78 75.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.02 -44.03 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 2.5 mm-40 -58.16 -57.58 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -49.68 -51.11 40.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.851 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 5.0 t80 -54.25 -55.4 28.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.38 -42.72 82.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mt -51.98 -43.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.42 32.05 5.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 148' ' ' TYR . 10.3 p -78.59 146.26 69.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.805 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.0 -17.85 19.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -165.95 -101.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.853 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p 26.8 87.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 1.8 p30 -80.66 99.65 8.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.92 ' HA ' HD12 ' A' ' 160' ' ' LEU . 1.4 p -48.3 -37.73 17.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -54.61 -18.76 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -96.62 -45.85 6.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.2 mt -48.5 177.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 73.1 t -150.32 119.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 163' ' ' SER . 1.3 m-85 -75.11 156.5 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 162' ' ' TYR . 74.5 m -36.87 117.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -170.09 49.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 166' ' ' SER . 42.3 p90 -63.64 -50.27 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.584 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.14 149.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.96 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.1 OUTLIER -45.81 -36.44 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.93 65.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.604 ' HB2' ' CE1' ' A' ' 63' ' ' HIS . . . -84.71 -56.79 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.554 ' O ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -64.47 -78.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.9 tttt -48.65 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.546 HG23 ' HA2' ' A' ' 64' ' ' GLY . 14.6 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' CE3' ' A' ' 125' ' ' TRP . 1.6 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.538 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 22.5 t80 -115.16 143.56 45.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 26.0 m-70 -153.0 163.7 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -116.47 139.51 50.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.4 -136.39 20.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 179.86 5.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 m -45.36 152.71 0.62 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.602 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.848 ' O ' HG13 ' A' ' 11' ' ' VAL . 5.3 mt-10 -66.51 118.45 10.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.4 m -165.88 110.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -76.8 112.3 21.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -74.95 -178.6 4.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HG12 ' A' ' 101' ' ' VAL . 25.3 m -54.68 132.7 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -42.44 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -157.11 82.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.971 ' CZ ' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -66.37 150.01 49.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.24 135.97 54.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 54' ' ' VAL . 37.6 m95 -77.13 -25.71 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.026 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.51 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 3.8 m -58.96 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.663 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -58.64 -101.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.813 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -48.01 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -177.16 -171.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.47 34.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 127.13 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.988 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.4 m95 -139.44 150.64 45.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.11 162.68 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.31 152.4 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.965 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -130.47 -96.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -91.67 81.29 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 146.16 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.659 ' CD1' HD23 ' A' ' 160' ' ' LEU . 2.7 m-85 -62.16 135.93 95.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -138.89 178.83 1.49 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.11 2.04 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.26 79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -124.52 117.36 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 81.5 m-85 -164.95 168.65 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.55 123.16 0.87 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -146.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.6 m 59.42 57.65 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -145.23 176.5 24.23 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -154.97 132.78 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -134.12 126.3 29.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 158.73 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD2' HG22 ' A' ' 56' ' ' VAL . 6.8 m-85 -112.45 125.96 54.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 m -101.94 109.92 60.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.97 120.62 6.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.99 49.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.64 -168.19 13.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.47 -29.62 10.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -98.77 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.047 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -133.0 118.76 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.8 149.4 46.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 47' ' ' TYR . 35.8 t -139.45 132.03 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -127.58 118.74 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.38 141.98 35.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -151.18 124.47 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.522 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -171.47 -175.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.64 123.48 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.073 HD12 ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -89.25 106.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.7 m-70 34.51 44.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.43 34.56 9.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -139.88 100.86 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.47 111.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.073 ' CG ' HD12 ' A' ' 62' ' ' ILE . 32.0 p90 -128.12 147.98 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -151.91 113.73 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttm -120.3 123.51 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.8 165.23 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -178.07 -171.22 41.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.0 OUTLIER -142.75 143.51 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.379 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -102.33 128.44 48.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 36.0 t80 -145.73 149.55 40.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.23 -51.25 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -121.17 -126.51 3.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.56 115.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.3 p -46.43 -46.08 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.75 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.16 -104.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG2' ' CG1' ' A' ' 76' ' ' VAL . 2.1 tttt 45.2 55.3 6.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.686 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -104.82 106.95 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.2 p90 -86.76 141.79 28.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -113.54 125.34 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.556 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.79 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.91 106.31 10.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.518 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.5 p -84.96 149.41 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.3 t -150.29 96.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.11 -94.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.95 36.18 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.24 97.99 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.518 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.8 m -107.13 124.95 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -134.38 143.37 47.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.48 110.48 22.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.3 m -92.8 135.54 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.99 124.83 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.736 ' CE1' ' CE2' ' A' ' 129' ' ' TRP . 24.6 t80 -121.46 110.69 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.26 111.16 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 14' ' ' VAL . 54.5 t -81.21 95.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 11' ' ' VAL . 2.7 mt -36.24 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.426 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -152.92 95.82 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 8.8 t -90.82 144.03 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 18.2 m-20 -90.56 -8.93 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.663 ' ND2' HE22 ' A' ' 21' ' ' GLN . 12.4 p30 41.86 32.76 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -48.82 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.671 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -150.05 -44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.974 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 p90 -108.7 148.82 29.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.988 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -118.69 123.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.607 HD13 ' CE2' ' A' ' 109' ' ' TYR . 1.2 tp -108.83 120.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.558 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -137.16 160.41 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.755 ' CD2' HG21 ' A' ' 11' ' ' VAL . 1.3 t80 -133.74 124.61 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 t -128.25 170.16 13.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 124' ' ' HIS . 4.7 m -156.37 134.56 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 116' ' ' ARG . 5.6 ptm180 -107.38 113.02 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 2.3 t80 -65.27 125.34 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.456 ' OD2' ' NE1' ' A' ' 125' ' ' TRP . 19.3 p-10 -113.88 98.57 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -19.99 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.05 -59.82 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 5.57 48.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.1 mttt 77.93 -53.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.37 -137.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 115' ' ' CYS . 1.2 p-80 -157.67 172.61 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CE3' ' O ' ' A' ' 2' ' ' VAL . 84.4 m95 -120.77 163.47 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.453 ' CB ' ' HB ' ' A' ' 2' ' ' VAL . 64.0 t0 -93.16 137.22 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -175.17 98.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 129' ' ' TRP . 4.9 p -121.27 179.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.736 ' CE2' ' CE1' ' A' ' 99' ' ' PHE . 12.5 p90 -133.66 141.68 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.006 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.037 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -113.8 139.62 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.037 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.81 159.1 21.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 2.9 t -150.0 150.48 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.9 mtt180 -48.24 -51.78 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -103.43 -172.54 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.66 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.93 153.96 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.805 HD11 HG21 ' A' ' 145' ' ' VAL . 4.9 mt -73.34 139.91 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.671 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 8.0 p -152.95 -168.94 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 37.55 -158.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -24.95 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.671 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -51.92 -43.47 63.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -59.01 -37.83 77.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.1 m -75.85 -37.39 59.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.974 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.97 -46.25 75.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.805 HG21 HD11 ' A' ' 137' ' ' LEU . 2.1 t -70.52 -47.05 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -54.29 -57.03 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.45 -54.13 41.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 111' ' ' ILE . 8.1 t80 -55.78 -49.62 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 157' ' ' SER . 57.6 mt -55.82 -56.4 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 146' ' ' GLU . 93.7 mt -41.44 -49.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.83 36.21 3.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.583 ' CB ' HG13 ' A' ' 155' ' ' VAL . 23.7 p -75.23 123.37 88.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.23 5.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' ASP . 3.3 m -143.86 -43.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.77 92.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.5 OUTLIER -82.46 101.02 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.874 ' HA ' HD12 ' A' ' 160' ' ' LEU . 21.1 p -46.97 -42.7 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.57 -19.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -92.3 -47.47 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.6 mt -50.8 173.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.5 t -150.7 127.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.3 156.0 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' VAL . 11.3 p -42.17 163.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 p30 161.03 111.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 14.1 p90 -117.17 -52.96 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER 76.2 147.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -44.9 -36.94 3.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.54 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -83.39 -56.8 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -48.77 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -51.34 112.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 126' ' ' ASP . 31.1 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 26.1 t80 -106.76 148.32 28.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 12.6 m-70 -156.58 166.62 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -109.9 146.72 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 90.76 -134.04 12.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.448 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -118.82 -177.67 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -48.65 145.93 5.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.8 mt-10 -75.82 117.5 17.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.504 ' CB ' HD21 ' A' ' 102' ' ' LEU . 2.7 m -151.9 114.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -72.07 112.44 14.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.03 161.85 38.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 17' ' ' PHE . 15.7 m -48.01 123.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -32.35 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -154.99 83.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CD1' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -65.95 146.05 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.61 123.76 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.549 ' HH2' HG21 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -87.25 7.27 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -46.3 -37.22 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -69.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -44.84 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.89 -164.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.85 -147.95 47.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 134.9 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.0 m95 -139.11 132.31 29.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -101.77 131.57 47.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 108.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 pp20? -57.8 161.24 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.021 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.83 -86.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -118.59 112.92 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -137.21 147.7 46.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' N ' HD23 ' A' ' 160' ' ' LEU . 20.8 m-85 -38.61 160.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 5.65 3.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 68.52 166.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.5 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.52 8.38 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.02 44.17 50.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -125.8 -172.2 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 62' ' ' ILE . 46.0 m-85 -155.51 170.3 22.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.59 121.86 1.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.597 ' CB ' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -140.03 -169.18 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.69 23.29 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.42 175.8 23.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -141.64 123.04 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -121.06 104.2 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -98.91 159.04 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.772 ' CD2' HG22 ' A' ' 56' ' ' VAL . 34.4 m-85 -123.02 126.81 47.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 m -104.26 110.42 64.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 118.98 5.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.03 51.55 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.96 -171.09 13.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -30.86 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -92.79 161.93 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG21 ' CE3' ' A' ' 19' ' ' TRP . 30.4 m -135.5 120.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -66.28 148.74 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' CD2' ' A' ' 47' ' ' TYR . 49.0 t -137.41 124.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.45 118.19 28.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -112.74 135.04 53.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -153.38 120.23 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 p30 -156.14 -173.95 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.929 HG21 HG22 ' A' ' 172' ' ' VAL . 11.4 p -124.22 134.95 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.933 HD12 ' CD1' ' A' ' 67' ' ' TYR . 71.2 mt -127.87 113.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 38.42 78.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.89 49.83 5.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 108.54 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.15 112.33 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.933 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -88.41 160.35 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 5.2 t80 -165.76 146.73 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -173.82 123.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 36.5 mt-10 -128.1 165.64 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 156.06 130.38 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.3 t -73.05 165.91 24.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . . . -118.56 114.13 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 47.1 t80 -132.78 148.18 68.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 135.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -79.83 -51.42 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -113.11 -131.71 5.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.51 114.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -41.96 -58.51 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -47.39 -61.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -50.95 157.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 14' ' ' VAL . . . -61.66 -107.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 44.05 54.08 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.549 HG21 ' HH2' ' A' ' 19' ' ' TRP . 1.1 mp -97.03 108.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.737 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -84.09 136.58 33.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.803 ' O ' HG22 ' A' ' 97' ' ' THR . 14.9 m-70 -106.5 121.84 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -84.79 107.93 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 26.5 ptt180 -104.41 119.24 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.1 p -102.26 142.14 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 90' ' ' VAL . 12.3 t -140.94 90.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.78 -90.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -119.08 28.93 6.4 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t80 -141.71 93.53 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.744 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.604 ' CG2' HG22 ' A' ' 89' ' ' THR . 94.5 m -106.95 139.25 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -147.1 141.11 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.97 109.98 22.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 86' ' ' HIS . 14.9 t -92.88 149.29 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.7 t -103.26 130.78 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 114' ' ' SER . 42.1 t80 -133.16 110.51 10.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -97.46 108.98 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 14' ' ' VAL . 76.7 t -77.26 102.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.504 HD21 ' CB ' ' A' ' 11' ' ' VAL . 6.9 mt -34.57 -86.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -158.71 100.81 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.947 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.462 HG23 ' OD1' ' A' ' 106' ' ' ASN . 5.0 t -89.27 155.97 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -91.14 -33.4 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.462 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.2 m-80 65.24 39.54 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -55.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -140.64 -48.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.76 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -104.45 157.69 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.719 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -133.57 126.19 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.1 tp -103.42 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 128' ' ' VAL . . . 175.11 172.12 39.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 19.8 t80 -167.03 114.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 44.3 t -126.25 169.62 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' TRP . 0.5 OUTLIER -156.92 131.14 8.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 108.33 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -98.93 136.74 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 116' ' ' ARG . 4.6 t80 -73.47 141.81 46.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.36 117.21 24.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -59.89 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.47 -61.13 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -67.6 -19.29 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.24 -57.15 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.94 -153.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.6 p80 -140.68 177.05 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.623 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.8 m95 -140.29 137.24 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HB3' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -99.41 101.55 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -117.06 101.2 8.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 14.7 p -116.78 170.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.685 ' HD1' HD21 ' A' ' 131' ' ' LEU . 5.4 p90 -138.46 131.03 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.021 HG12 HG23 ' A' ' 29' ' ' VAL . 97.9 t -94.59 135.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.971 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -112.11 159.66 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.617 ' HB2' HD13 ' A' ' 137' ' ' LEU . 2.9 t -150.09 142.14 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 108' ' ' ASN . 24.7 ttp180 -48.28 -27.09 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 -178.9 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -30.66 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.23 145.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 132' ' ' SER . 6.9 tp -74.96 143.75 43.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.6 p -152.78 -165.94 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 35.92 -154.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.05 23.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.01 -47.43 68.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' A' ' 137' ' ' LEU . 6.1 mtmt -58.62 -39.45 80.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 96.1 m -67.77 -45.94 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.17 -43.56 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.596 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.44 -41.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.43 -58.01 9.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.53 -52.33 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.816 ' CE2' HD11 ' A' ' 111' ' ' ILE . 1.9 t80 -52.91 -53.85 43.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.39 -39.28 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.46 -41.28 80.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.01 -3.16 89.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 148' ' ' TYR . 18.7 m -75.48 135.94 71.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 152' ' ' SER . 18.3 Cg_endo -74.99 -23.23 14.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 155' ' ' VAL . 16.3 m -141.19 -123.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.562 ' CG2' HD11 ' A' ' 160' ' ' LEU . 3.1 p 35.78 84.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.23 104.11 11.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.915 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.1 p -56.11 -39.9 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -53.45 -22.51 7.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -45.79 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.915 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -48.79 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 56.1 t -147.43 129.53 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 163' ' ' SER . 3.9 m-85 -74.0 161.93 29.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 89.8 p -38.23 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.5 OUTLIER 161.44 92.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.672 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.2 p90 -120.68 -50.04 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 82.53 149.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -34.34 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.04 67.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -81.64 -57.7 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 24.1 t -48.47 -45.64 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 108.353 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -56.67 125.03 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.929 HG22 HG21 ' A' ' 61' ' ' VAL . 91.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -105.81 111.0 23.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -99.98 165.45 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.44 144.58 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.26 -140.58 19.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.54 -173.7 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.36 137.21 3.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.8 111.98 16.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 113' ' ' TYR . 2.7 m -141.51 110.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.23 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -76.92 113.27 28.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.784 HG13 HG12 ' A' ' 101' ' ' VAL . 20.4 m -56.02 138.99 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.14 -41.06 90.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -160.61 90.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.769 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.52 132.69 48.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.91 111.66 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.625 ' CE3' HG21 ' A' ' 54' ' ' VAL . 64.1 m95 -62.91 -20.37 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m -48.4 -65.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.473 HE21 ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -72.49 -99.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -36.7 101.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -176.48 -156.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.04 -130.91 42.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 136.1 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.7 m95 -138.98 149.88 45.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -122.52 145.87 47.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 mt-10 -74.64 147.0 41.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.907 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -117.93 -91.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -108.34 106.93 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.694 ' C ' HD23 ' A' ' 160' ' ' LEU . 2.5 ptpt -125.97 -172.92 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OD1' ' A' ' 156' ' ' ASP . 1.7 m-85 -90.12 144.46 31.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -75.01 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 50.8 173.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.11 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.27 -21.95 62.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 62.9 77.88 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.8 105.77 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CA ' HG12 ' A' ' 62' ' ' ILE . 38.9 p90 178.34 159.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.05 -177.62 20.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' NZ ' ' HG2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -140.77 45.26 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -144.32 59.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.04 177.29 25.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.8 p90 -137.81 118.45 14.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -113.74 120.58 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.95 161.03 15.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.42 134.49 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -124.75 111.36 27.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 125.84 9.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.2 52.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.87 -173.09 14.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -45.32 -31.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 162.08 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 ' CE3' ' A' ' 19' ' ' TRP . 13.3 m -132.81 115.55 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.88 148.83 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.97 140.03 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 67.9 m -131.51 117.97 19.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.677 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -153.48 119.73 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.63 -174.38 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 ' CG2' ' A' ' 172' ' ' VAL . 21.3 t -106.48 119.04 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 67' ' ' TYR . 5.3 mt -106.93 113.18 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 m170 44.89 72.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.53 70.67 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.74 119.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.6 119.02 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -126.75 160.23 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 11.0 t80 -165.98 115.24 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.96 115.8 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -109.06 167.15 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.51 128.6 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 14.9 t -71.26 163.58 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.414 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -114.31 115.41 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.6 t80 -130.16 148.66 70.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.94 126.17 9.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -72.35 -49.8 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.28 -131.23 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 6.4 m-20 -44.67 111.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.0 t -39.03 -48.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -55.99 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.03 150.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.1 -103.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 tptt 44.11 55.06 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -101.41 108.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.575 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -87.25 138.59 31.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -101.95 115.02 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 114.47 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.69 119.04 38.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 94' ' ' THR . 0.7 OUTLIER -111.49 135.4 52.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 91' ' ' GLY . 62.1 t -129.83 167.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.519 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -39.45 -39.92 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.38 27.47 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.441 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -139.47 98.02 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 89' ' ' THR . 25.9 m -117.02 130.31 56.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -152.82 142.36 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -96.57 111.4 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 20.4 m -93.12 142.08 27.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.5 t -104.71 128.35 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 53.1 t80 -126.51 110.11 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.89 102.72 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.784 HG12 HG13 ' A' ' 14' ' ' VAL . 48.5 t -74.18 96.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 101' ' ' VAL . 8.3 mt -36.88 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -155.04 105.93 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.724 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 2.6 t -97.89 151.92 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' ASN . 7.8 t0 -95.1 -4.81 45.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 7.2 p30 38.72 45.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.7 -59.0 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.87 -46.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 1.014 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 2.1 p90 -111.34 152.44 27.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -123.01 125.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -106.6 129.99 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.632 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -159.52 120.06 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 154' ' ' VAL . 25.2 t80 -98.21 143.2 28.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.436 ' C ' ' SG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -144.76 166.59 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.062 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -157.37 158.21 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 122.44 27.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -79.87 133.82 36.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -119.4 126.28 51.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.83 -51.74 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -49.88 -57.48 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -20.04 61.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp 80.16 -54.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.53 -144.92 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -153.23 176.85 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.594 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -128.74 152.84 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.042 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.726 ' OD2' HG23 ' A' ' 128' ' ' VAL . 22.2 t0 -102.32 114.96 29.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -123.13 99.99 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.726 HG23 ' OD2' ' A' ' 126' ' ' ASP . 96.7 t -112.99 147.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.798 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.1 p90 -136.23 123.28 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.698 HG12 HG23 ' A' ' 29' ' ' VAL . 72.7 t -105.49 138.41 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.553 HD23 ' C ' ' A' ' 130' ' ' VAL . 9.8 mt -113.64 160.39 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TRP . 1.6 t -150.4 144.78 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.8 OUTLIER -43.2 -59.14 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 m -103.69 176.97 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -25.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 2.4 t -150.34 129.85 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.907 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.51 146.58 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.808 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -143.69 -178.81 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.43 -136.97 21.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -18.0 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -68.31 -37.05 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 147' ' ' ASN . 39.1 m -72.25 -38.9 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.1 -45.63 68.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.701 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.31 -52.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.37 -54.74 12.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -53.7 -49.54 67.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.574 ' O ' ' N ' ' A' ' 152' ' ' SER . 2.0 t80 -56.29 -52.42 64.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.951 ' CD2' HG11 ' A' ' 155' ' ' VAL . 43.0 mt -49.65 -35.33 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.1 -50.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -83.16 6.33 72.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 148' ' ' TYR . 24.9 p -76.63 139.67 67.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.422 ' C ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.96 -37.49 2.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.887 ' O ' HG23 ' A' ' 155' ' ' VAL . 2.2 m -151.64 110.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.951 HG11 ' CD2' ' A' ' 149' ' ' LEU . 2.9 t -166.23 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.528 ' OD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.81 94.65 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' ' 160' ' ' LEU . 26.0 p -62.3 -45.59 92.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -53.71 -27.14 26.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.48 -42.53 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.897 HD11 HG13 ' A' ' 155' ' ' VAL . 4.0 mt -45.0 168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 47.5 t -149.65 130.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.461 ' HE1' HD11 ' A' ' 137' ' ' LEU . 1.7 m-85 -82.88 161.02 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.6 m -38.76 127.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 165' ' ' PHE . 30.8 m-20 -172.25 43.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 10.5 p90 -37.66 -51.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 4.1 t 72.54 149.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 171' ' ' LYS . 5.4 mt-10 -45.14 -35.98 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.36 68.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -83.89 -57.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -78.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.4 tptt -52.95 119.64 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.58 ' CG2' HG11 ' A' ' 61' ' ' VAL . 68.8 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 126' ' ' ASP . 25.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 12.3 t80 -116.98 100.29 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.37 162.08 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.3 138.32 52.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.54 -135.05 12.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -97.41 167.9 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' ALA . 12.3 m -40.65 150.95 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.25 115.99 24.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -141.58 111.75 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -64.85 110.73 4.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 167.78 26.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 103' ' ' SER . 5.5 m -56.6 132.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -38.45 88.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -154.01 90.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.806 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.01 130.93 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.79 109.31 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -62.12 -30.59 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 107.987 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -48.96 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 1.6 pt20 -86.96 54.28 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.806 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 168.59 84.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.621 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.4 -160.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.61 -142.69 47.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.82 121.8 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.944 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 8.7 m95 -132.47 107.24 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -75.85 126.41 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.7 mt-10 -49.97 161.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.882 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.94 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -110.94 118.73 36.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -146.15 147.8 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 62.1 m-85 -52.53 141.16 34.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 2.01 7.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER 77.02 173.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -41.75 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -89.27 25.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 33.69 39.17 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -130.32 120.18 23.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 4.1 p90 -172.37 165.66 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.21 147.22 18.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -143.52 39.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -165.51 61.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.98 177.82 16.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 p90 -139.49 119.44 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.48 160.6 37.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.1 160.88 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' CG ' HG22 ' A' ' 56' ' ' VAL . 9.9 m-85 -118.75 119.87 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -100.81 110.61 61.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 118.28 5.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 54.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.78 -171.86 13.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -46.74 -31.61 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.16 161.52 13.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 29.5 m -132.39 116.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 3.4 mttt -65.46 149.42 50.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' CG ' ' A' ' 47' ' ' TYR . 77.9 t -142.35 139.01 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 m -131.01 119.41 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 5.0 ttp180 -107.85 138.17 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.2 119.23 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -176.32 -175.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 66' ' ' GLU . 33.0 m -111.0 132.23 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.999 HD12 ' CG ' ' A' ' 67' ' ' TYR . 58.7 mt -105.18 110.53 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 40.95 70.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 53.75 62.6 5.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -172.27 112.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 61' ' ' VAL . 22.8 mt-10 -61.13 113.8 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.999 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -114.47 164.17 14.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -164.62 125.44 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 138.58 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.7 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.71 167.05 25.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.8 t -111.72 155.72 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -107.27 112.47 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.4 t80 -125.35 148.55 61.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.559 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -58.14 -47.28 87.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 -133.03 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -46.38 115.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -42.78 -44.48 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.0 -72.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -46.23 150.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.4 -104.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 40.5 66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.654 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.15 112.56 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.708 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -89.05 137.61 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t60 -103.58 120.02 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.0 118.94 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -112.13 115.58 29.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.67 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -102.64 140.11 37.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 91' ' ' GLY . 10.6 t -151.71 170.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 90' ' ' VAL . . . -39.41 105.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 42.03 33.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -146.16 94.34 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.67 ' OG1' HG22 ' A' ' 89' ' ' THR . 2.4 m -123.46 124.68 43.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -139.91 146.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -95.58 113.79 25.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 86' ' ' HIS . 8.4 m -94.0 143.96 25.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.6 t -102.05 135.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 128' ' ' VAL . 42.8 t80 -131.36 111.3 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.07 108.77 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.583 HG21 ' HE2' ' A' ' 17' ' ' PHE . 51.5 t -90.69 98.8 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' VAL . 12.0 mt -38.07 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.597 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -165.28 85.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.813 HG23 HD21 ' A' ' 106' ' ' ASN . 0.1 OUTLIER -49.23 165.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.623 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 7.8 t0 -84.4 -28.97 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.813 HD21 HG23 ' A' ' 104' ' ' THR . 2.2 m-80 62.45 63.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.596 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 13.0 m-20 -161.65 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 137' ' ' LEU . 1.7 t80 -102.39 146.67 27.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.944 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -117.08 131.22 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.78 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -104.99 153.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.689 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.52 177.71 46.57 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -160.74 123.47 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.01 172.21 8.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -145.38 129.86 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.4 112.2 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 4.3 t80 -63.82 108.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.67 98.73 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 52.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -115.94 -49.45 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 165.29 119.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.29 -146.03 18.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.601 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 26.5 p-80 -162.15 178.48 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 35.3 m95 -126.47 164.76 20.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 107.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -108.57 135.03 50.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -149.17 107.47 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.647 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.689 HG21 ' C ' ' A' ' 112' ' ' GLY . 10.1 p -118.56 149.42 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TRP . . . . . 0.764 ' HD1' HD21 ' A' ' 131' ' ' LEU . 7.8 p90 -106.25 123.15 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 107.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.053 ' C ' HD23 ' A' ' 131' ' ' LEU . 59.2 t -98.14 129.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.053 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -116.57 143.79 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.585 ' HB2' HG21 ' A' ' 29' ' ' VAL . 29.8 t -144.11 142.09 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -53.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.1 m -102.55 -178.34 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.85 1.96 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.534 HG12 ' CG2' ' A' ' 138' ' ' THR . 1.2 t -140.15 141.42 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.77 131.09 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.745 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.0 OUTLIER -152.57 -167.55 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.65 -168.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -46.97 -23.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -52.27 -40.18 61.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -62.71 -33.71 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.7 m -69.54 -41.28 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 105' ' ' ASP . . . -53.77 -40.26 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.775 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 2.5 t -74.51 -45.97 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 150' ' ' ILE . 0.5 OUTLIER -55.85 -57.85 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.67 -55.22 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.639 ' CD2' HD11 ' A' ' 111' ' ' ILE . 10.4 t80 -56.89 -49.2 76.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.76 -57.92 9.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 149' ' ' LEU . 85.5 mt -38.96 -49.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.34 43.39 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -65.79 114.45 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.407 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.5 Cg_endo -74.95 -28.57 9.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -152.21 -43.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -50.97 110.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 106.8 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 149' ' ' LEU . 34.8 p -59.51 -47.34 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -53.48 -19.13 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.69 -38.56 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 155' ' ' VAL . 3.6 mt -50.55 163.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 97.1 t -138.25 144.54 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.507 ' OH ' HG11 ' A' ' 145' ' ' VAL . 8.1 m-85 -102.2 161.28 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 93.7 p -37.12 105.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -159.04 82.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' A' ' 166' ' ' SER . 32.6 p90 -115.17 -46.93 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.81 147.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.2 OUTLIER -45.6 -34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.34 66.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -71.65 -57.29 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -55.25 -62.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 167' ' ' GLU . 22.7 tttt -39.43 126.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 64' ' ' GLY . 69.8 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 1.2 m -133.88 106.65 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.565 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 29.9 t80 -115.33 147.7 40.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 19.1 m-70 -151.49 170.56 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.55 146.23 29.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.22 -140.29 22.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -112.68 -168.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 144.38 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -170.75 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.74 116.82 20.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.505 ' CB ' HD21 ' A' ' 102' ' ' LEU . 3.2 m -149.14 112.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 113.63 27.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.419 1.747 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' CG ' ' A' ' 17' ' ' PHE . 8.3 m -54.03 135.21 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.662 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.6 p-10 -65.77 -41.37 92.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -151.61 91.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.648 ' CZ ' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.37 134.05 51.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.51 125.04 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.544 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.9 m95 -85.07 6.17 26.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.483 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 1.2 m -47.14 -62.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.483 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -99.47 -49.18 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.708 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -57.36 84.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.61 -168.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.58 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.64 -136.59 16.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.31 125.43 50.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.5 m95 -127.5 152.23 47.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -130.57 139.67 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.953 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.22 152.49 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.062 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.48 -88.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -105.12 89.89 3.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -123.23 131.28 53.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' LYS . 22.0 m-85 -31.92 136.33 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.03 4.12 5.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.49 171.13 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -65.8 -26.04 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 75.27 82.15 0.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 1.8 pttt -129.41 115.02 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.658 ' N ' HG23 ' A' ' 62' ' ' ILE . 41.7 m-85 -162.38 168.24 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.82 102.96 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 37.9 tttm -91.55 72.57 5.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 t -163.03 46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.92 177.57 17.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -138.24 118.69 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -126.55 139.76 52.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.66 161.02 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CD2' HG22 ' A' ' 56' ' ' VAL . 16.3 m-85 -119.81 114.56 22.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' LYS . 20.1 m -108.5 132.37 21.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.73 18.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 41.16 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 66.99 88.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 87.14 -47.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.18 157.13 16.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CE3' ' A' ' 19' ' ' TRP . 27.9 m -131.41 114.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -64.45 149.27 48.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 47' ' ' TYR . 54.5 t -142.45 124.54 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 73.6 m -122.21 118.82 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 2.0 ttp180 -110.99 136.21 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.35 120.21 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -158.33 -177.74 6.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.544 HG11 ' CG2' ' A' ' 172' ' ' VAL . 52.9 t -111.38 100.95 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.039 HD12 ' CG ' ' A' ' 67' ' ' TYR . 83.7 mt -83.88 117.04 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.4 m170 38.45 79.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.23 61.54 0.98 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' H ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.71 115.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HG2' HG22 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.41 112.71 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.039 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -113.77 160.9 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -164.9 125.13 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.86 112.81 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.48 174.44 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 165.31 127.74 0.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.8 t -74.96 150.61 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -104.87 112.64 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.5 t80 -125.68 149.16 64.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 121.24 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -61.89 -52.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.56 -121.45 2.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 118.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -53.94 -43.66 70.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -56.23 -78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 15' ' ' ASP . 5.9 mm -43.02 157.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -57.39 -104.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.22 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -112.94 108.59 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.781 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -84.11 139.01 32.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 97' ' ' THR . 9.4 m-70 -104.62 119.97 40.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -116.47 110.41 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.657 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.1 p -90.34 148.94 22.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.442 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.87 133.47 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.5 -102.99 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.63 37.94 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.87 147.41 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 0.796 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.657 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.6 m -129.52 136.12 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -128.87 136.63 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -95.6 107.0 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 86' ' ' HIS . 40.4 m -92.61 133.92 35.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 115.33 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 101' ' ' VAL . 21.7 t80 -115.2 109.92 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -87.99 107.88 18.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.648 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 54.2 t -82.09 98.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 ' CB ' ' A' ' 11' ' ' VAL . 11.7 mt -37.49 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.48 122.44 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.536 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.7 t -105.75 156.21 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -96.76 -12.21 23.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.469 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 49.02 57.09 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -134.17 -77.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.555 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -140.58 14.32 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.742 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -154.36 155.42 35.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -143.48 133.99 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.742 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER -111.5 168.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 179.71 -172.15 43.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.561 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 5.6 t80 -168.28 130.85 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.62 132.25 23.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 122.29 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -94.16 142.4 27.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.459 ' CZ ' ' O ' ' A' ' 122' ' ' LYS . 48.0 t80 -87.21 138.34 31.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.81 117.24 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -16.17 60.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -87.76 -9.29 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 9.7 tptt 80.75 -58.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.67 -138.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 26.3 p-80 -156.21 172.66 18.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -126.48 164.27 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.443 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 9.6 t70 -107.03 147.44 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.8 106.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.62 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.0 p -138.09 167.07 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.75 ' HD1' HD21 ' A' ' 131' ' ' LEU . 1.8 p90 -148.94 148.83 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 107.992 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.062 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -109.78 135.54 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.002 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -112.12 154.08 25.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.542 ' HB3' HG13 ' A' ' 29' ' ' VAL . 10.8 t -150.13 112.12 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -36.24 -42.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 m -102.83 148.41 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -53.46 -21.01 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.609 HG12 ' CG2' ' A' ' 138' ' ' THR . 14.3 t -129.04 133.23 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.685 HD11 ' HB1' ' A' ' 141' ' ' ALA . 4.2 tp -75.67 121.2 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.776 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.4 p -148.9 -177.58 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 57.24 -164.82 6.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -47.21 -23.38 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -55.55 -44.47 76.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.95 -39.12 73.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 85.9 m -63.41 -48.29 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.98 -43.91 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.682 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -73.0 -31.99 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.91 -56.29 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -50.99 -52.48 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 1.114 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 26.8 t80 -54.37 -53.99 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.787 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.2 mt -56.0 -57.13 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 96.9 mt -40.46 -49.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.59 40.4 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.9 p -68.23 114.01 18.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.57 3.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.561 HG21 ' CZ ' ' A' ' 113' ' ' TYR . 1.2 m -141.14 -44.22 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 1.114 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 8.4 p -54.03 89.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.63 103.07 5.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.2 p -54.01 -41.29 67.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.07 -19.18 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -42.36 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 1.019 HD11 HG22 ' A' ' 155' ' ' VAL . 6.4 mt -53.33 172.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.544 HG11 ' HB3' ' A' ' 33' ' ' PRO . 10.5 p -149.57 125.4 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 163' ' ' SER . 5.1 m-85 -69.78 161.82 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 162' ' ' TYR . 80.3 p -36.07 145.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 9.9 t0 176.38 83.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.9 p90 -117.17 -47.97 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 71.24 148.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -34.81 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.08 -39.09 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -57.1 -57.26 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.9 OUTLIER -61.26 -61.03 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.27 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.44 120.69 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.544 ' CG2' HG11 ' A' ' 61' ' ' VAL . 84.6 t -104.64 151.27 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -62.59 102.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 44.03 80.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -178.39 157.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 175' ' ' SER . 16.1 t30 40.39 83.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 -43.96 140.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.32 173.86 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 180' ' ' PRO . 0.1 OUTLIER -113.04 141.4 25.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 179' ' ' HIS . 18.2 Cg_endo -75.03 -172.9 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -148.51 -166.01 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -155.19 157.95 38.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -135.14 129.11 33.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m -99.57 99.87 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -119.46 114.64 22.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -130.33 154.66 47.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -108.19 143.28 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' ' ND1' ' A' ' 124' ' ' HIS . . . 97.06 -136.93 13.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.96 169.21 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.2 m -45.84 156.01 0.47 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.239 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -171.22 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.729 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -77.7 124.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.5 m -160.74 116.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -75.13 113.15 22.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.96 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 101' ' ' VAL . 27.8 m -55.66 136.95 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 81' ' ' ILE . 7.4 p-10 -66.82 -41.68 87.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -155.93 87.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -66.15 128.82 37.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -116.74 127.15 54.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 2.8 m95 -85.55 6.73 25.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -57.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.07 -55.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.703 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -56.75 89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.456 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.29 -175.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 82.97 -147.18 24.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -86.16 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 110' ' ' ILE . 23.8 m95 -136.24 155.68 49.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.013 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 25' ' ' LYS . 9.8 m0 -138.53 140.3 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 24.4 mt-10 -60.01 155.94 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.648 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -132.41 -91.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -102.52 99.45 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.713 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -132.09 171.88 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.41 134.39 84.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -43.73 167.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.61 21.52 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.0 77.86 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.43 121.94 41.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.779 ' O ' HG23 ' A' ' 62' ' ' ILE . 8.1 m-85 -156.5 175.8 13.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.62 114.36 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 165' ' ' PHE . 13.8 ttmm -117.99 57.6 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -162.58 57.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.45 177.21 21.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -126.71 118.52 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -141.25 139.64 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 12.2 pt-20 -144.57 158.57 43.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.637 ' CE2' HG21 ' A' ' 56' ' ' VAL . 20.5 m-85 -107.86 128.3 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.0 m -118.72 110.49 38.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 131.73 14.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -174.16 125.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 74.05 25.59 70.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 88.94 -39.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.93 159.55 20.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -119.55 115.22 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.4 148.92 50.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 47' ' ' TYR . 78.8 t -141.42 128.85 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 74.3 m -129.84 118.28 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -110.57 139.6 45.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -153.4 120.73 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -169.71 -175.09 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 3.2 m -115.49 100.14 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 40.1 mt -84.29 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER 38.99 66.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.628 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.28 63.28 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -170.21 125.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.38 120.11 9.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -124.0 159.07 30.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 19.5 t80 -165.55 121.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 ttp -138.44 107.14 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.6 pt-20 -104.35 168.56 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 169.69 164.11 24.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.05 143.08 47.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.378 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -96.69 112.76 24.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 48.0 t80 -127.14 148.6 66.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.61 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.1 Cg_endo -74.99 121.25 6.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -67.68 -50.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -118.54 -127.82 3.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -44.7 107.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -38.2 -50.99 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -54.93 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 15' ' ' ASP . 9.6 mm -38.73 157.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.36 -105.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 44.67 54.09 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.746 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -102.49 110.81 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -91.86 138.62 31.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.663 ' NE2' ' HB2' ' A' ' 73' ' ' ALA . 3.8 m-70 -102.15 122.04 43.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.56 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 114.31 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.2 114.56 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.726 HG22 HG23 ' A' ' 94' ' ' THR . 1.6 p -93.02 148.9 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 90' ' ' VAL . 5.7 t -146.62 93.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . 36.45 62.98 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.77 -34.92 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 90' ' ' VAL . 4.1 t80 -75.89 93.05 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.726 HG23 HG22 ' A' ' 89' ' ' THR . 21.0 m -99.51 124.98 45.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 142.84 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -96.51 107.82 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 86' ' ' HIS . 7.7 m -97.27 128.91 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 118.32 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.638 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 8.6 t80 -121.04 110.14 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -92.71 119.49 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.812 HG21 ' HE2' ' A' ' 17' ' ' PHE . 55.4 t -87.11 103.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.3 mt -38.07 -87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -155.26 111.0 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.849 HG21 ' CE1' ' A' ' 17' ' ' PHE . 3.3 t -101.14 151.16 22.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -94.37 -1.15 54.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER 38.59 63.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.61 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -133.55 -42.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.968 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -109.67 160.55 16.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.646 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -138.43 141.66 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.569 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -122.73 137.93 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.75 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -157.7 125.03 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.872 ' HA ' HG22 ' A' ' 128' ' ' VAL . 9.8 t80 -94.16 113.25 25.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.25 168.03 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.4 129.22 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 128.88 53.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -68.31 128.29 36.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 122' ' ' LYS . 0.4 OUTLIER -101.4 109.96 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.39 -52.65 52.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.168 . . . . 0.0 110.35 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.7 -57.08 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -13.55 62.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER 78.79 -60.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.44 -136.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 6' ' ' GLY . 32.3 p-80 -158.97 170.69 21.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -126.25 155.37 41.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 108.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.51 ' OD1' ' CE2' ' A' ' 113' ' ' TYR . 1.1 t70 -101.74 99.4 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.62 100.79 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.532 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 113' ' ' TYR . 53.5 t -94.42 138.98 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.443 ' CD1' ' O ' ' A' ' 129' ' ' TRP . 6.7 p90 -125.12 121.56 34.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 72.6 t -103.28 141.56 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -118.04 158.29 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.647 ' HB2' HG21 ' A' ' 29' ' ' VAL . 26.2 t -150.45 153.27 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -55.32 -48.68 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -105.1 164.28 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -56.03 -25.8 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.91 142.06 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.702 ' CD2' ' HB1' ' A' ' 141' ' ' ALA . 1.8 mt -75.74 140.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -154.02 -169.24 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 39.62 -160.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -48.28 -26.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.78 -34.23 62.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -71.9 -34.31 69.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 35.1 m -78.1 -33.48 50.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.968 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.45 -45.56 76.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.665 ' CG2' ' CD2' ' A' ' 109' ' ' TYR . 77.2 t -71.86 -49.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.42 -55.76 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -53.62 -54.31 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.569 ' CZ ' HG12 ' A' ' 111' ' ' ILE . 2.3 t80 -56.8 -47.31 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.634 HD12 HG12 ' A' ' 145' ' ' VAL . 34.7 mt -57.36 -54.77 43.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.8 mt -40.54 -49.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -98.11 36.73 3.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.687 ' HB2' HG13 ' A' ' 155' ' ' VAL . 11.3 p -70.65 128.81 90.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.0 Cg_endo -75.07 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.697 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -121.67 -38.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.891 ' CG2' HD11 ' A' ' 160' ' ' LEU . 4.0 p -51.59 103.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.73 101.16 13.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.89 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.0 p -46.68 -43.52 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.33 -19.99 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -49.96 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.891 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.5 mt -44.65 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 31' ' ' LYS . 11.9 p -151.46 141.18 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 10.7 m-85 -84.34 158.39 21.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.0 p -39.44 157.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.51 98.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.528 ' CG ' ' HB3' ' A' ' 41' ' ' LYS . 29.4 p90 -118.63 -47.58 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 74.02 149.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -34.69 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.39 -38.46 63.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -69.39 -55.7 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.05 -52.68 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -58.59 108.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 175' ' ' SER . 7.6 p -106.52 151.51 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 174' ' ' ASN . 7.1 p-10 -85.04 103.61 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 173' ' ' ASN . 0.9 OUTLIER 44.05 92.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.471 ' HB2' ' CG2' ' A' ' 172' ' ' VAL . 0.6 OUTLIER -163.63 -61.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -101.71 64.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -54.36 134.44 45.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.036 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.4 t -175.26 153.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -40.01 100.27 0.21 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.62 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.85 21.7 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.772 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.98 -166.91 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -137.8 163.15 32.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.2 129.17 33.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.6 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.501 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -154.63 101.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 35.0 t80 -100.99 150.17 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 24.7 m-70 -153.18 166.18 33.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.99 142.94 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 79.4 -136.1 16.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.39 -169.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 7.3 m -50.62 143.87 13.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -170.47 0.78 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.037 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 11' ' ' VAL . 6.6 mt-10 -73.71 117.8 15.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 3.3 m -151.82 115.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -75.57 113.37 25.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 170.18 20.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.729 HG13 HG12 ' A' ' 101' ' ' VAL . 14.7 m -54.59 137.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -65.3 -42.0 93.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -155.83 95.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.724 ' CE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.91 160.02 24.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.67 124.07 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.519 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.4 m95 -83.95 4.09 31.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -49.57 -38.83 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -116.92 -63.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.669 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.25 93.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -177.24 -165.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.98 -140.65 30.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -98.1 125.06 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.4 m95 -130.48 171.71 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.03 144.69 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 6.0 mm-40 -66.76 147.91 52.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -115.01 -86.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -106.71 91.82 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.645 ' O ' HG12 ' A' ' 161' ' ' VAL . 4.9 tttm -121.07 155.02 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CE1' HG11 ' A' ' 2' ' ' VAL . 6.4 m-85 -53.77 133.46 56.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.745 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -75.04 2.79 6.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER 57.65 179.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.05 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -111.53 14.19 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 51.52 97.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.78 96.71 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER 175.16 156.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.8 138.08 9.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -106.17 44.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -141.74 61.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.76 177.24 32.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -134.7 143.46 47.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.77 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.03 111.58 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.5 161.77 14.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.3 m-85 -121.93 126.64 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -105.87 110.95 64.59 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.28 8.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 42.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.81 -169.67 16.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -49.11 -30.77 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -92.87 160.41 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.519 HG21 ' CE3' ' A' ' 19' ' ' TRP . 14.6 m -136.65 113.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 149.41 43.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 47' ' ' TYR . 78.8 t -145.81 135.1 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 15.3 m -127.62 117.03 21.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.77 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -112.18 133.21 54.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -153.85 120.17 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 1.3 p-10 -146.88 -175.54 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.644 HG21 ' O ' ' A' ' 170' ' ' CYS . 29.3 m -111.62 98.71 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.881 HD12 ' CG ' ' A' ' 67' ' ' TYR . 43.4 mt -87.26 120.43 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . 39.7 m170 39.09 76.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.78 69.26 0.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 172' ' ' VAL . 1.3 ttpp -177.09 114.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 112.61 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.881 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -106.81 168.07 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 45.1 t80 -164.8 129.5 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.1 ttm -153.75 98.54 2.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -97.36 168.38 10.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 168.24 127.37 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 11.4 t -73.31 168.25 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -116.04 128.16 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.5 t80 -142.87 147.46 41.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.98 135.91 19.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -75.54 -48.03 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -130.45 -120.15 2.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.48 112.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -47.45 -45.52 25.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ILE . 11.9 mttp -56.5 -81.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -38.53 155.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.51 -107.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 43.81 61.05 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.609 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -108.51 114.05 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -93.67 143.18 26.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 97' ' ' THR . 10.3 m170 -103.78 154.62 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.25 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -104.03 133.14 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 p -105.91 146.85 29.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 90' ' ' VAL . 16.8 t -140.21 88.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.68 62.86 0.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.84 -35.99 3.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.01 98.11 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -97.38 137.63 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -138.03 140.59 40.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -96.39 110.87 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 86' ' ' HIS . 13.0 t -92.76 142.78 26.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.366 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.1 t -97.29 123.62 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.784 ' CE2' ' CE2' ' A' ' 129' ' ' TRP . 0.1 OUTLIER -113.22 109.82 19.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.68 106.29 18.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.765 HG22 ' HZ2' ' A' ' 129' ' ' TRP . 73.2 t -87.55 92.52 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.7 mt -33.1 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -161.18 96.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.691 HG23 ' OD1' ' A' ' 106' ' ' ASN . 6.3 t -92.35 146.98 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 4.2 t0 -77.61 -34.73 53.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.691 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.0 m-80 70.76 61.81 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.64 -63.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.834 ' OD1' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -130.92 -45.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.975 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -106.13 160.07 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -138.83 134.44 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER -116.41 140.98 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.715 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -165.41 149.65 16.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.489 ' CE1' HG23 ' A' ' 154' ' ' VAL . 8.6 t80 -128.32 114.51 16.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 3.4 p -123.19 135.78 54.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -134.56 150.56 50.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.07 128.93 37.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.22 110.88 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 120' ' ' ASP . 37.4 m-20 -118.52 97.58 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 59.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -78.76 -62.66 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -116.05 -50.81 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 169.99 81.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.81 -144.62 12.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 115' ' ' CYS . 6.6 p80 -151.68 179.25 8.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -122.3 164.48 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -122.33 164.96 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.215 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.429 ' N ' ' OD1' ' A' ' 126' ' ' ASP . 1.3 t60 -170.07 116.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 112' ' ' GLY . 55.4 t -95.09 139.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.784 ' CE2' ' CE2' ' A' ' 99' ' ' PHE . 23.3 p90 -108.12 103.2 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 29' ' ' VAL . 22.0 t -98.02 102.45 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.839 HD23 ' N ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -96.74 154.66 17.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.532 ' HB3' HG13 ' A' ' 29' ' ' VAL . 1.3 t -149.49 150.91 33.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -51.34 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.3 m -104.67 172.89 6.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -59.41 -23.42 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.55 148.29 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -74.14 134.14 42.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 19.2 p -148.34 -178.05 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.9 -172.07 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.45 -26.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.834 ' HB2' ' OD1' ' A' ' 108' ' ' ASN . . . -52.81 -39.6 62.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -36.32 70.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 0.9 OUTLIER -77.1 -37.25 54.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.975 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.43 -45.59 73.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.757 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.4 t -71.99 -45.54 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 4.9 mm-40 -54.22 -55.41 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -52.23 -55.04 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 155' ' ' VAL . 10.2 t80 -55.96 -50.72 70.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 152' ' ' SER . 83.1 mt -55.48 -56.84 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.32 -49.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.04 41.1 2.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -67.81 124.72 90.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -29.87 7.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 113' ' ' TYR . 0.5 OUTLIER -148.69 -47.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 1.02 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.2 p -53.31 93.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.1 p30 -73.43 107.65 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.742 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.6 p -58.73 -43.33 90.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -52.47 -24.49 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.72 10.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 1.02 HD11 ' CG2' ' A' ' 155' ' ' VAL . 3.3 mt -45.36 167.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 33' ' ' PRO . 9.8 p -150.04 145.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 11.5 m-85 -90.0 161.95 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 34.8 m -35.79 139.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.29 66.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 52.9 p90 -88.21 -47.74 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.506 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 73.13 149.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.42 -34.63 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -38.2 69.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -78.88 -46.85 17.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.644 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 m -58.04 -63.83 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 108.266 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.61 118.11 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.505 HG12 ' HB3' ' A' ' 176' ' ' ASN . 10.7 p -110.86 146.91 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -57.46 115.95 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.11 128.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.91 173.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' ' 172' ' ' VAL . 0.6 OUTLIER 40.52 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -89.54 169.86 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 94.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.32 106.26 55.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.02 9.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.11 -158.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -160.85 161.08 31.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.62 118.94 17.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.631 ' O ' HG13 ' A' ' 2' ' ' VAL . 51.2 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 1' ' ' ASP . 5.1 m -157.81 97.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 39.5 t80 -109.5 153.63 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 33.3 m-70 -151.64 168.0 26.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -109.37 137.96 46.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.618 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 76.47 -131.66 11.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -111.28 -172.9 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 58.9 m -45.84 150.54 0.98 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.2 mt-10 -81.91 125.15 30.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 102' ' ' LEU . 3.4 m -162.52 113.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -67.35 111.73 8.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.96 173.9 13.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 17' ' ' PHE . 24.0 m -53.85 124.68 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' HD13 ' A' ' 81' ' ' ILE . 4.0 p-10 -64.43 -37.85 88.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p-10 -155.55 83.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -66.42 153.47 42.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -146.78 132.15 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.571 ' CE3' HG21 ' A' ' 54' ' ' VAL . 5.7 m95 -86.53 4.38 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.971 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -62.72 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -89.42 -88.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.653 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -35.23 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -177.68 -169.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.641 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.19 -137.4 23.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -82.33 118.78 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.88 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 18.5 m95 -145.97 142.23 28.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.041 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.473 ' CZ3' ' O ' ' A' ' 40' ' ' GLY . 6.1 m95 -133.46 149.71 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 6.6 mt-10 -55.55 144.21 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -111.08 -83.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.764 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -126.51 119.25 26.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.512 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.0 OUTLIER -150.59 170.19 19.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 3.0 m-30 -58.53 135.01 85.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 32' ' ' TYR . 18.2 Cg_endo -75.01 130.24 13.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -50.55 175.13 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.98 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.35 24.45 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.34 82.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 137.95 50.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -163.11 174.68 11.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' CZ3' ' A' ' 27' ' ' TRP . . . -171.45 119.95 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 2.2 ttmt -111.31 -152.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 28.0 p 41.96 73.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.4 177.16 29.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.471 ' CE3' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -108.36 126.15 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -127.63 142.29 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -155.18 161.49 41.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 56' ' ' VAL . 7.8 m-85 -123.15 134.6 54.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -111.79 109.9 55.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.13 63.13 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.67 -164.42 25.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -29.95 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.69 158.69 15.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG21 ' CE3' ' A' ' 19' ' ' TRP . 3.5 m -136.29 114.63 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 149.38 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' TYR . 41.1 t -131.55 136.54 57.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.2 p -131.48 138.1 48.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -141.5 157.22 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.61 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -155.47 -178.14 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 170' ' ' CYS . 31.1 m -119.49 114.25 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.967 HD12 ' CG ' ' A' ' 67' ' ' TYR . 34.3 mt -97.58 122.89 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.7 m170 40.25 62.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.781 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 50.3 68.03 1.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 7.3 ttpt -173.49 122.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.89 113.12 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.967 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.5 t80 -117.32 165.34 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 17.4 t80 -153.67 139.11 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.2 ttt -134.8 116.91 15.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -131.67 169.66 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 163.36 165.73 21.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 87' ' ' SER . 7.3 t -116.4 151.97 34.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB1' ' HH2' ' A' ' 19' ' ' TRP . . . -114.53 112.35 22.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 29.7 t80 -132.53 149.19 72.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.579 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.96 123.95 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -64.05 -52.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.98 -124.26 3.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.89 122.1 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -53.39 -46.65 69.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.6 mm -41.97 160.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -63.8 -102.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 48.37 47.13 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.256 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.633 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.92 107.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 5.2 p90 -85.8 136.15 33.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.2 m-70 -98.13 126.93 43.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.51 ' HB2' HG22 ' A' ' 72' ' ' THR . 20.0 m -83.69 108.29 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.78 136.26 54.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.598 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.4 p -99.83 147.31 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 93' ' ' TYR . 40.8 t -143.9 123.14 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.05 63.37 0.76 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.61 41.93 57.55 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 2.3 t80 -142.83 93.91 2.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.598 ' OG1' HG22 ' A' ' 89' ' ' THR . 96.1 m -69.15 130.86 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -133.86 138.01 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -95.49 106.32 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.8 m -95.35 133.15 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.1 t -90.28 122.56 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.5 t80 -124.4 109.17 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -89.74 116.56 27.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.65 HG22 ' CE2' ' A' ' 99' ' ' PHE . 72.9 t -86.98 101.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -38.73 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -166.96 98.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.9 t -91.03 155.73 18.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.453 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -82.05 -36.37 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 104' ' ' THR . 4.4 m-80 72.74 52.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.81 -67.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.707 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.3 m-80 -143.27 15.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.884 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -159.09 149.85 19.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 1.2 mp -141.36 127.06 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.792 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.4 OUTLIER -105.51 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . 170.79 -174.04 44.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 102' ' ' LEU . 15.0 t80 -167.11 115.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 0.719 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -117.78 164.06 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.41 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 4.9 p -155.66 151.66 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -122.44 131.93 54.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -77.91 137.79 38.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.83 111.01 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -43.41 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.28 -59.15 5.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -18.5 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' A' ' 3' ' ' TYR . 2.5 mptt 73.95 140.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.54 -134.19 15.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.7 p80 -158.21 162.12 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -112.88 158.8 19.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.555 ' OD1' ' CD2' ' A' ' 4' ' ' HIS . 42.0 m-20 -95.58 159.07 15.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -175.89 88.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.633 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' TRP . 3.2 p -106.51 163.51 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 131' ' ' LEU . 3.5 p90 -146.81 138.2 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.708 ' C ' HD23 ' A' ' 131' ' ' LEU . 92.3 t -120.09 124.06 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -101.33 153.34 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.485 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -149.3 142.73 25.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -42.25 -53.72 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 136' ' ' VAL . 7.0 m -100.28 151.62 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.451 ' HB2' ' CE ' ' A' ' 41' ' ' LYS . 1.2 ptp -42.03 -26.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -121.81 156.22 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 145' ' ' VAL . 0.6 OUTLIER -75.07 133.57 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 6.7 p -152.4 -176.92 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.56 -171.13 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -45.86 -26.91 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.34 -28.57 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -72.79 -35.22 67.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -71.52 -38.54 71.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.884 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.95 -45.19 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.843 HG23 ' CD2' ' A' ' 109' ' ' TYR . 3.9 t -70.7 -46.01 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.74 -49.9 64.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -51.95 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.792 ' CE2' HD11 ' A' ' 111' ' ' ILE . 8.5 t80 -54.9 -49.77 70.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 157' ' ' SER . 27.5 mt -50.69 -56.55 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.8 mt -46.09 -49.19 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.367 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.18 42.13 2.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 149' ' ' LEU . 19.3 m -67.52 125.23 90.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.808 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.99 -21.89 15.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -166.13 -38.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.798 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -51.34 116.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.78 101.09 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.7 p -50.16 -46.34 54.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -53.36 -28.3 28.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -38.95 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.798 HD11 HG22 ' A' ' 155' ' ' VAL . 1.3 mt -47.43 168.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 32.4 t -151.0 144.18 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.764 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m-85 -92.4 161.3 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.0 m -46.64 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 159.07 105.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 166' ' ' SER . 25.9 p90 -115.58 -46.79 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 12.6 m 69.43 150.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.06 -34.14 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.45 -32.67 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -77.39 -57.3 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.786 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -55.4 -56.92 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -47.19 118.09 2.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 170' ' ' CYS . 60.5 t -119.14 151.21 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.21 105.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.08 143.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.63 169.04 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.049 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 39.3 t30 50.85 83.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.7 155.25 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.28 146.06 47.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.75 96.76 11.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.591 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.23 14.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -138.78 -157.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -152.8 153.47 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.39 119.49 26.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 11.0 tptp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.626 ' O ' HG13 ' A' ' 2' ' ' VAL . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 1' ' ' ASP . 0.6 OUTLIER -158.97 98.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.533 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 3.9 t80 -116.18 138.76 50.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.533 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 10.1 m-70 -146.53 162.67 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -110.62 136.63 49.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.11 -134.17 12.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.17 -168.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.3 m -50.53 157.35 1.28 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -75.02 -171.07 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.649 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.0 mt-10 -81.37 120.63 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 10' ' ' GLU . 6.6 m -158.83 113.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -70.92 112.82 14.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 178.47 7.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.048 HG21 ' CD1' ' A' ' 17' ' ' PHE . 18.7 m -55.82 133.62 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.658 ' HA ' HD13 ' A' ' 81' ' ' ILE . 18.5 p-10 -66.18 -35.35 80.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -158.77 96.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.048 ' CD1' HG21 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -66.56 159.39 27.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -158.02 121.52 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.477 ' CE3' HG21 ' A' ' 54' ' ' VAL . 1.8 m95 -86.34 6.22 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.979 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -46.16 -44.46 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.83 -85.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -29.58 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.54 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -177.07 -161.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.41 -138.19 33.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -96.73 132.12 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.788 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 16.0 m95 -139.33 137.2 35.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 36.3 m0 -115.34 141.19 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.8 mt-10 -59.41 156.21 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -128.59 -88.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -106.38 92.08 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 -172.81 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.459 ' C ' ' H ' ' A' ' 34' ' ' SER . 2.5 m-85 -88.06 141.72 31.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 51.7 173.61 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.97 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' GLY . 2.3 t30 -106.11 26.99 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 35.91 76.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 100.46 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.741 ' CA ' HG23 ' A' ' 62' ' ' ILE . 36.4 p90 179.16 165.98 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.68 170.56 23.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -139.92 40.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.66 67.64 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -147.27 177.13 25.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -119.73 122.85 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . . . -119.94 97.88 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -100.04 159.46 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 56' ' ' VAL . 11.4 m-85 -123.52 133.65 53.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -113.7 110.48 49.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.99 129.27 12.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.97 50.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.84 -173.24 14.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -45.83 -31.68 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.82 158.1 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 49' ' ' PRO . 2.5 m -133.1 119.97 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 149.09 31.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 47' ' ' TYR . 76.0 t -137.71 122.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 4.2 m -122.28 118.32 28.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.63 138.94 51.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.67 120.28 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.26 177.94 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.637 HG21 ' O ' ' A' ' 170' ' ' CYS . 22.1 m -104.44 98.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.004 HD12 ' CG ' ' A' ' 67' ' ' TYR . 74.3 mt -73.88 114.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m170 39.74 77.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.644 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 40.91 59.61 2.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.49 117.51 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 114.74 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -127.16 160.63 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 70' ' ' GLU . 9.7 t80 -165.45 128.62 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.3 mmt -145.48 124.65 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 68' ' ' PHE . 2.9 pt-20 -122.7 167.24 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' VAL . . . -179.22 -145.31 6.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.0 t -158.77 144.5 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.357 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -95.24 112.43 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 47.5 t80 -127.96 148.57 67.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.99 135.44 19.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.614 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -79.79 -51.03 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.15 -123.4 2.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -44.2 112.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -50.33 -41.5 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -56.92 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.1 mm -46.22 157.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.96 -106.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.5 55.9 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.729 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -106.93 111.35 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.614 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -90.87 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CD2' ' NH1' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -100.5 120.55 40.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.603 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 124.13 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' NH1' ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -119.35 105.78 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.498 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.16 148.88 22.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.418 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 91' ' ' GLY . 45.9 t -142.45 168.39 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.34 -49.26 1.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.92 32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.8 94.22 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 89' ' ' THR . 2.2 m -116.39 120.01 37.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -137.9 146.53 43.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -95.57 113.29 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' HIS . 18.6 m -92.92 135.97 33.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.0 t -100.01 117.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.639 ' CE2' HG22 ' A' ' 101' ' ' VAL . 16.8 t80 -118.51 110.16 17.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -93.56 102.36 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.811 ' O ' HG13 ' A' ' 14' ' ' VAL . 85.7 t -70.68 96.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.72 HD13 ' HE1' ' A' ' 148' ' ' TYR . 5.9 mt -34.08 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -146.43 108.53 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.515 HG23 ' OD1' ' A' ' 106' ' ' ASN . 10.2 t -100.78 139.81 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.99 -16.31 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER 49.2 71.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.97 -75.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.53 ' O ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -124.95 -40.02 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.992 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -112.36 162.98 14.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.788 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -143.94 135.29 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.587 HG12 ' CE1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -108.95 172.21 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.454 ' O ' ' CG2' ' A' ' 128' ' ' VAL . . . 174.79 -175.41 46.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' A' ' 9' ' ' PRO . 21.0 t80 -166.76 113.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.83 171.13 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -157.83 126.66 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.504 ' CE1' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t80 -64.98 134.05 53.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -141.71 96.33 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.504 ' OE1' ' CE1' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -76.1 51.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -86.13 -60.46 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 18.64 16.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.39 74.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 169.16 -138.67 5.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 115' ' ' CYS . 7.5 p80 -163.68 179.39 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -125.54 161.9 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 2' ' ' VAL . 33.2 t0 -97.31 158.86 15.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.77 102.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.549 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 1.6 p -105.2 163.49 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.453 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 3.1 p90 -139.87 141.33 36.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 107.988 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.018 ' C ' HD23 ' A' ' 131' ' ' LEU . 42.4 t -119.9 138.07 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.018 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -115.45 160.85 19.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.592 ' OG ' HG13 ' A' ' 29' ' ' VAL . 12.4 p -146.76 160.5 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 108' ' ' ASN . 3.8 ttp180 -64.08 -56.51 14.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 m -105.69 -173.75 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -62.59 -11.81 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 135' ' ' MET . 1.9 t -159.61 110.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 141' ' ' ALA . 0.4 OUTLIER -65.2 145.15 56.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.103 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 10.7 p -144.6 177.41 8.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.414 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.91 -146.67 48.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.45 -26.63 43.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.797 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 137' ' ' LEU . . . -56.28 -45.82 79.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -60.7 -40.12 91.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 95.7 m -65.23 -37.69 88.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.992 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.65 -45.53 70.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.809 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.6 t -72.84 -50.69 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -55.99 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.72 -54.4 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.72 ' HE1' HD13 ' A' ' 102' ' ' LEU . 17.2 t80 -56.92 -50.85 71.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 145' ' ' VAL . 84.7 mt -56.35 -54.56 44.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 22.1 mt -40.33 -50.1 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.07 38.6 3.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.596 ' CB ' HG13 ' A' ' 155' ' ' VAL . 5.7 p -69.2 117.12 49.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 0.744 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.33 11.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.1 OUTLIER -149.41 -43.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 1.007 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p -52.52 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 154' ' ' VAL . 2.2 p30 -74.71 103.49 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.862 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.3 p -54.26 -37.73 65.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -54.25 -18.35 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -46.72 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 1.007 HD11 ' CG2' ' A' ' 155' ' ' VAL . 6.4 mt -47.54 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 53.4 t -150.77 121.86 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 163' ' ' SER . 2.1 m-85 -67.55 162.16 23.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -36.33 124.94 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -173.77 68.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' A' ' 166' ' ' SER . 42.4 p90 -84.71 -48.95 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.598 ' N ' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 72.91 149.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 171' ' ' LYS . 3.0 mt-10 -45.91 -35.03 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.16 67.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -79.78 -55.94 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.637 ' O ' HG21 ' A' ' 61' ' ' VAL . 1.2 t -54.68 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -38.45 127.81 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.531 ' HB ' HG11 ' A' ' 61' ' ' VAL . 7.2 p -108.97 151.1 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -84.57 115.06 22.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 67.16 172.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.5 176.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 44.77 85.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -66.29 168.26 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.73 174.6 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -75.1 149.37 84.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 109.614 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 181' ' ' GLN . 18.2 Cg_endo -75.01 135.82 19.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 180' ' ' PRO . 1.6 mm100 79.9 158.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -152.67 149.28 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -135.2 129.15 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 125' ' ' TRP . 6.0 m -144.35 104.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' CD2' ' A' ' 4' ' ' HIS . 73.3 t80 -86.26 158.9 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 53.8 m-70 -155.07 170.44 21.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -105.27 139.26 40.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.27 -134.66 18.52 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.77 -171.02 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 115' ' ' CYS . 56.2 m -46.43 140.29 5.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.95 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.3 mt-10 -77.96 123.58 26.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.7 m -158.35 115.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -75.88 114.18 34.5 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.27 29.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 17' ' ' PHE . 16.1 m -49.08 135.06 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 81' ' ' ILE . 2.6 p-10 -66.29 -42.99 87.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -154.31 86.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.811 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.46 129.6 40.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -119.56 123.26 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -69.76 -14.77 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -56.13 10.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' CD ' ' HB3' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -106.09 54.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.602 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 175.31 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -175.64 -160.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.92 -145.55 49.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 2.8 mtpm? -82.45 126.52 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.871 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.9 m95 -140.95 140.95 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -120.9 130.16 53.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 3.2 mm-40 -49.85 157.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -120.07 -83.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -123.21 106.03 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 32' ' ' TYR . 13.2 ptmt -133.53 135.87 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 31' ' ' LYS . 29.9 m-85 -32.36 134.8 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.016 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HB3' HG11 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -146.1 172.51 5.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.965 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.84 6.47 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.88 94.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.1 mttt -115.92 100.14 7.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 70.3 m-85 -162.59 160.1 25.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.58 113.71 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -105.57 72.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 m -173.0 46.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -135.19 177.26 19.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -134.83 129.87 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -132.7 165.46 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -155.86 152.2 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' HG21 ' A' ' 56' ' ' VAL . 9.4 m-85 -107.92 115.64 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LYS . 92.0 m -105.74 118.04 56.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.96 121.6 6.69 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.549 1.815 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.5 45.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 73.44 87.27 0.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.3 tttt 87.05 -48.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -93.7 158.67 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.68 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 31.3 m -134.5 112.13 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 1.1 mttt -72.32 147.16 46.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 47' ' ' TYR . 87.4 t -132.61 132.0 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.28 117.67 23.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.66 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -111.42 142.88 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -152.64 119.91 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 67' ' ' TYR . 2.5 p-10 -156.31 -176.02 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 172' ' ' VAL . 10.2 p -123.81 97.69 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.838 HD12 ' CG ' ' A' ' 67' ' ' TYR . 5.0 mt -74.34 121.85 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.5 m170 63.59 -96.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . -140.75 35.54 1.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -142.26 126.64 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -63.69 112.52 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.838 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -105.04 162.62 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 8.5 t80 -165.46 133.77 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mtt -144.05 155.48 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 27.0 mt-10 -140.75 166.53 24.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 172.63 148.26 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -110.88 151.71 27.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.68 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -109.8 117.74 34.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 38.8 t80 -132.09 148.98 71.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.593 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.02 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.875 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -56.3 -52.86 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -126.78 -118.74 2.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.46 113.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -48.38 -50.86 29.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -53.32 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 1.1 mp -39.49 155.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.16 -106.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt 43.63 65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.563 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -115.68 107.98 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.875 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -81.31 134.82 35.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.98 ' O ' HG22 ' A' ' 97' ' ' THR . 1.4 m-70 -100.65 128.11 46.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.557 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -83.87 114.56 21.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -109.31 107.3 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.793 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -88.58 138.46 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 91' ' ' GLY . 86.7 t -136.71 167.43 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -40.03 97.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 52.42 31.33 35.54 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.03 101.66 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.793 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.7 m -115.58 137.19 52.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 6.8 tptt -149.46 144.86 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.3 mptt -95.76 111.5 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 86' ' ' HIS . 8.7 t -93.31 144.25 25.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.89 125.06 46.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.3 t80 -122.1 109.74 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -86.6 104.32 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.811 HG11 ' CE2' ' A' ' 17' ' ' PHE . 41.2 t -82.16 98.27 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 6.6 mt -38.75 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.4 OUTLIER -161.81 129.09 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -111.58 170.16 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.431 ' N ' ' OG1' ' A' ' 104' ' ' THR . 1.6 t0 -97.64 -7.46 30.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.409 ' HB3' ' CD ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 43.91 53.94 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 -67.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.92 19.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.766 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.88 152.15 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.871 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -145.97 128.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.54 HG12 ' CZ ' ' A' ' 148' ' ' TYR . 0.0 OUTLIER -115.52 170.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -174.38 -177.02 43.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 154' ' ' VAL . 7.5 t80 -167.26 112.66 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 24.3 p -130.36 151.71 50.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -147.67 143.99 28.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.325 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -109.13 120.92 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -73.41 120.77 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -105.96 117.75 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -18.65 60.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -50.19 22.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -89.26 -12.75 39.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER 79.4 -54.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.7 -141.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -159.85 173.6 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 5.0 m95 -134.16 135.35 43.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.79 155.86 16.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.89 116.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.636 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 129' ' ' TRP . 0.2 OUTLIER -128.31 163.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.492 ' N ' ' CG2' ' A' ' 128' ' ' VAL . 7.5 p90 -131.92 126.1 33.3 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.03 ' C ' HD23 ' A' ' 131' ' ' LEU . 91.6 t -94.74 132.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.03 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.45 152.92 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.2 t -150.35 159.12 44.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -55.93 -50.89 69.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -104.12 -168.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -0.86 55.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.07 147.07 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.9 HD11 HG21 ' A' ' 145' ' ' VAL . 1.3 mt -75.05 134.08 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.5 p -152.79 -174.61 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.23 -169.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -46.98 -24.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.58 -38.5 63.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -63.0 -35.27 79.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 2.3 m -72.21 -38.96 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.34 -47.2 76.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 137' ' ' LEU . 4.4 t -69.36 -43.08 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 3.2 mm-40 -56.42 -57.86 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.96 -54.5 34.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.913 ' CE1' HG11 ' A' ' 155' ' ' VAL . 3.0 t80 -56.8 -48.65 77.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 145' ' ' VAL . 23.4 mt -56.9 -56.9 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -39.67 -50.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.53 40.85 2.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB3' HG13 ' A' ' 155' ' ' VAL . 1.8 p -68.37 114.0 18.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.747 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.01 -13.44 21.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.1 OUTLIER -165.33 -42.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.913 HG11 ' CE1' ' A' ' 148' ' ' TYR . 7.5 p -54.34 93.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -78.99 107.22 11.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.935 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.1 p -58.03 -45.39 87.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.24 -20.98 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -92.63 -47.05 7.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.935 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -46.41 171.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 33' ' ' PRO . 8.5 p -150.2 130.61 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 22.6 m-85 -77.75 160.77 28.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' VAL . 19.8 m -39.38 159.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.8 m-20 161.49 104.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.652 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 26.0 p90 -120.29 -46.02 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.508 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 83.36 144.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.96 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.19 -34.54 4.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.13 -33.29 57.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.652 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -69.99 -55.19 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -34.38 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -75.03 144.87 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 61' ' ' VAL . 56.0 t -133.22 151.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -73.19 104.87 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 m120 43.02 88.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.28 -71.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.038 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -100.77 64.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -46.02 134.06 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 m -148.72 168.46 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.43 18.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -173.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -149.36 -166.48 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.42 163.83 31.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.56 121.73 23.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 13.2 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 127' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.542 HG13 ' CG ' ' A' ' 1' ' ' ASP . 35.8 m -128.49 130.9 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.43 153.47 20.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -146.87 171.17 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.428 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 11.6 t0 -102.4 141.63 34.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 73.33 -144.07 33.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -117.15 -167.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 m -51.94 136.29 37.16 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 108.331 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -169.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 mt-10 -80.87 121.99 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.3 m -155.17 113.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.39 113.41 25.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.2 Cg_endo -75.0 169.99 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.074 HG21 ' CD2' ' A' ' 17' ' ' PHE . 3.4 m -55.05 123.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.742 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -157.78 88.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.074 ' CD2' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.21 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -123.15 116.64 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 2.8 m95 -84.1 7.38 18.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.056 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -62.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -98.49 -46.6 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -57.17 83.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLN . 0.6 OUTLIER -177.67 -178.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.6 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.59 -138.83 14.46 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -105.64 122.48 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CH2' HD12 ' A' ' 110' ' ' ILE . 15.2 m95 -127.23 167.9 15.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -141.91 132.54 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -39.87 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.61 HG22 ' CB ' ' A' ' 132' ' ' SER . 1.2 t -119.18 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.587 ' O ' HG21 ' A' ' 130' ' ' VAL . . . -121.93 95.72 4.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 165.87 14.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 38.2 m-85 -60.75 139.55 93.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 128.95 11.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.27 167.39 1.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -90.19 19.24 5.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.23 79.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.4 mttt -129.77 138.47 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.994 ' O ' HG23 ' A' ' 62' ' ' ILE . 13.2 m-85 -155.34 174.88 14.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.0 113.64 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -105.55 -142.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.2 p 42.24 41.27 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.23 177.46 20.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 59' ' ' TYR . 1.9 p90 -122.05 119.93 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -136.1 98.73 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.55 159.21 15.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.9 m-85 -121.27 117.96 28.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -98.0 109.91 53.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HA ' HG13 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.0 131.16 13.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -152.8 48.72 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.19 -171.88 13.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -31.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.55 152.6 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG13 ' HA ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -125.83 141.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -85.43 147.86 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CD2' ' A' ' 47' ' ' TYR . 99.1 t -135.14 133.87 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.7 p -131.37 117.87 19.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -115.64 133.74 55.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.96 120.65 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -167.67 172.59 9.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.729 HG12 ' HG2' ' A' ' 66' ' ' GLU . 5.1 m -101.56 116.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.994 HG23 ' O ' ' A' ' 39' ' ' TYR . 26.2 mt -104.53 118.78 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 38' ' ' LYS . 47.3 m170 45.73 77.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.564 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.81 60.35 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 115.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.729 ' HG2' HG12 ' A' ' 61' ' ' VAL . 36.1 mt-10 -63.9 112.84 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.547 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -111.1 165.01 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 58' ' ' ARG . 69.2 t80 -164.76 149.08 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.2 ttm -166.79 117.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 5.7 pt-20 -118.63 169.47 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 163.5 161.26 12.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.7 t -110.6 148.17 32.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 114.49 26.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 30.8 t80 -129.55 146.67 62.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.5 Cg_endo -74.95 129.07 12.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 83' ' ' LYS . 1.0 OUTLIER -78.17 -49.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -111.43 -129.81 5.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -49.14 113.09 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 74.3 m -39.06 -55.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 81' ' ' ILE . 9.0 ptpt -54.22 -55.91 23.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -52.79 151.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -56.62 -105.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 41.55 55.95 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.75 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.87 111.78 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.6 p90 -91.81 130.64 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -94.91 121.61 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.596 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -80.13 119.27 22.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' NE2' ' A' ' 86' ' ' HIS . 2.2 mtp180 -98.57 106.43 18.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.53 142.51 30.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 91' ' ' GLY . 43.9 t -141.99 169.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.542 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -36.59 -44.14 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.7 36.7 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.68 104.4 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.7 m -117.17 116.74 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -133.67 138.14 45.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 1.3 mtpt -95.43 112.92 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.454 ' O ' ' CA ' ' A' ' 85' ' ' TYR . 53.6 m -97.32 141.55 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.9 t -97.7 132.41 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 114' ' ' SER . 50.2 t80 -131.4 110.47 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.5 108.89 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.644 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 50.7 t -88.72 102.31 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 101' ' ' VAL . 6.2 mt -34.72 -87.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.446 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -166.33 103.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.431 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -84.68 155.64 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.1 OUTLIER -86.77 0.37 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' ASP . 1.1 p30 38.75 68.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.66 -75.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.818 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.14 -39.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.797 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -108.47 160.57 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.716 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -135.64 137.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.797 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.8 tp -118.27 142.56 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.482 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -155.26 179.06 31.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -165.25 113.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 80.5 p -129.04 157.1 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.4 145.69 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -106.09 122.91 47.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.98 128.12 34.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.605 ' OD1' ' CD1' ' A' ' 125' ' ' TRP . 7.5 p-10 -143.89 98.96 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.94 53.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -86.08 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.34 12.56 17.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.18 73.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.25 -151.22 7.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 2.0 p80 -163.15 157.56 20.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.605 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 54.6 m95 -107.38 125.38 51.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.09 134.97 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.568 ' CD2' ' HB3' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -167.25 128.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.738 HG22 ' H ' ' A' ' 129' ' ' TRP . 5.8 p -132.67 179.95 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.781 ' HD1' HD21 ' A' ' 131' ' ' LEU . 8.7 p90 -142.34 120.11 11.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.029 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.027 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.9 t -93.63 140.46 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.027 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -116.96 140.39 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.61 ' CB ' HG22 ' A' ' 29' ' ' VAL . 12.5 p -122.78 141.79 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -57.61 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m -105.7 -163.52 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -27.48 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -136.92 157.54 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.673 HD21 ' HB ' ' A' ' 145' ' ' VAL . 9.4 tp -74.5 135.15 42.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.805 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.9 p -152.89 -169.84 3.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 41.66 -153.77 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.432 1.083 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -20.65 13.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -56.15 -43.79 78.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -65.0 -31.34 72.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.8 m -69.81 -51.0 37.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.4 -44.91 72.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.673 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -69.91 -32.62 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.7 -58.15 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -50.08 63.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.901 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 36.8 t80 -55.23 -53.96 49.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 157' ' ' SER . 51.7 mt -55.63 -55.37 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 83.1 mt -40.01 -48.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.05 40.69 2.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.6 p -68.11 112.98 12.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.582 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -74.95 -21.13 16.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 153' ' ' PRO . 2.4 m -156.54 -44.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.901 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 7.5 p -53.23 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.6 OUTLIER -75.77 108.32 8.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.946 ' HA ' HD12 ' A' ' 160' ' ' LEU . 9.9 p -59.8 -44.8 93.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -53.92 -19.83 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.441 ' HE3' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -92.15 -47.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.5 mt -48.55 174.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 34.8 t -150.4 122.16 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.3 m-85 -68.19 161.13 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' VAL . 12.7 m -42.62 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 163' ' ' SER . 3.7 m-20 159.8 88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.615 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 34.0 p90 -110.0 -47.85 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER 65.58 149.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -34.32 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.07 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -70.0 -55.38 9.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.763 ' O ' HG23 ' A' ' 172' ' ' VAL . 15.2 m -57.24 -57.56 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -54.45 119.68 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 170' ' ' CYS . 48.4 t -120.35 145.73 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -57.56 120.75 8.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.85 125.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 58.7 m 64.05 170.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 1.7 t30 43.68 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -94.63 165.21 12.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.027 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.89 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -143.81 76.5 15.49 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.83 36.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -144.83 -159.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -161.21 168.15 24.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -135.31 129.14 33.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.4 tttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.51 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 11.9 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.6 150.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 2.6 p90 -73.06 122.2 21.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 124' ' ' HIS . 35.6 m-70 -90.82 173.14 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.92 149.21 24.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 -138.15 18.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -105.2 -168.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -70.18 147.01 95.3 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.342 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -170.34 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG13 ' A' ' 11' ' ' VAL . 15.0 mt-10 -85.01 127.08 34.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.0 m -155.26 115.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -75.3 113.79 29.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.98 166.0 30.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.629 HG13 HG12 ' A' ' 101' ' ' VAL . 4.2 m -54.1 138.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.04 -42.94 88.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -158.29 91.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.771 ' CE2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.88 115.11 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 54' ' ' VAL . 53.6 m95 -62.91 -21.8 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.046 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -48.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 106' ' ' ASN . 5.5 pm0 -95.17 55.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 175.43 83.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.72 -164.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 70.64 -146.03 41.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -92.27 118.31 30.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.695 ' CH2' HD12 ' A' ' 110' ' ' ILE . 9.6 m95 -121.52 148.72 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -123.42 116.87 23.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.46 158.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.929 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -119.93 -86.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -124.96 123.96 41.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.58 159.07 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 1' ' ' ASP . 2.8 m-85 -49.58 130.52 19.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 129.9 12.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -46.75 173.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.02 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -91.92 24.87 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.19 83.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -128.88 132.26 47.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 15.9 m-85 -156.89 176.06 13.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.54 118.86 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -111.63 80.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' C ' ' HB3' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -168.16 72.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.08 176.88 33.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 p90 -132.27 121.34 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.575 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -136.37 142.53 43.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -142.6 151.18 41.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD2' HG22 ' A' ' 56' ' ' VAL . 10.2 m-85 -105.62 104.84 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.0 m -93.54 131.39 32.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.446 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 131.63 14.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 48.47 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 59.23 87.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 86.54 -48.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -91.8 155.12 18.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 4.9 m -129.42 110.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.815 ' HG2' HG22 ' A' ' 72' ' ' THR . 1.9 mtpt -66.22 134.46 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 47' ' ' TYR . 68.2 t -129.96 130.72 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.3 m -131.89 118.09 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.6 mtp180 -113.56 136.69 52.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.08 119.49 5.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -159.51 -175.25 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 61' ' ' VAL . 17.9 m -115.55 99.19 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CG ' ' A' ' 67' ' ' TYR . 27.8 mt -87.86 117.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 40.71 79.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.828 ' HA2' HG13 ' A' ' 172' ' ' VAL . . . 36.94 51.69 1.53 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.28 108.6 2.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -60.91 112.86 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.892 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -102.54 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.07 133.74 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -160.45 119.67 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.7 pt-20 -126.97 170.43 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 168.83 175.21 38.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' HG2' ' A' ' 55' ' ' LYS . 76.7 p -119.16 127.82 53.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -83.35 111.92 19.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.626 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.6 t80 -128.24 149.33 71.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -75.05 126.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 77' ' ' GLY . 1.1 t -72.23 -49.94 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -119.09 -132.61 4.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.74 115.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -43.08 -48.33 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -54.29 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.58 150.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -51.8 -106.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 45.2 58.94 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.774 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -109.49 112.81 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -96.44 144.22 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' THR . 13.1 m-70 -102.33 132.58 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.408 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 11.8 t -80.31 109.71 15.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 12.2 ptm180 -103.53 125.17 49.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.994 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.1 p -100.23 137.37 38.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' GLY . 1.5 t -121.84 162.56 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.8 57.81 0.35 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 173.94 -55.28 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -149.32 161.76 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.994 ' OG1' HG22 ' A' ' 89' ' ' THR . 16.2 m -102.91 140.08 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 4.5 tptt -125.46 143.52 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -96.28 112.68 24.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 86' ' ' HIS . 38.1 m -93.14 125.53 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.57 128.81 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.763 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 87.7 t80 -133.6 110.07 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -83.05 128.69 34.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.771 HG11 ' CE2' ' A' ' 17' ' ' PHE . 54.3 t -101.24 101.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' HE1' ' A' ' 148' ' ' TYR . 10.5 mt -39.8 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.27 116.57 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -104.57 160.32 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -8.68 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 3.4 m-80 46.64 55.25 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 -70.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.502 ' CB ' ' HB2' ' A' ' 141' ' ' ALA . 0.5 OUTLIER -143.62 21.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.878 ' CD2' HG23 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -159.61 145.63 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.695 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -141.26 133.99 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -124.3 149.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -164.82 126.69 1.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.946 ' HA ' HG22 ' A' ' 128' ' ' VAL . 7.0 t80 -107.94 113.06 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 17.6 t -126.92 155.13 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.403 ' SG ' ' CG ' ' A' ' 124' ' ' HIS . 0.1 OUTLIER -156.56 142.64 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 117' ' ' TYR . 2.4 tpt180 -126.73 131.82 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.42 ' N ' ' HD2' ' A' ' 116' ' ' ARG . 44.0 t80 -81.27 117.6 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 120' ' ' ASP . 1.5 m-20 -138.44 128.68 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 44.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 118' ' ' ASP . 1.0 OUTLIER -86.56 -42.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -111.08 -48.16 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 163.95 -33.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.98 -151.56 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 124' ' ' HIS . 1.3 p-80 -101.02 174.62 5.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 0.755 . . . . 0.0 109.625 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -117.35 113.89 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.517 ' OD1' ' CE1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -94.84 103.02 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 115.29 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 113' ' ' TYR . 24.9 t -104.16 153.23 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.763 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -137.8 138.15 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.623 HG12 HG23 ' A' ' 29' ' ' VAL . 50.0 t -120.73 121.68 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 130' ' ' VAL . 5.5 mt -103.18 153.12 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.8 t -149.28 158.15 43.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.21 -17.19 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -175.54 4.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.03 4.39 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 131.08 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.929 ' HG ' HG11 ' A' ' 29' ' ' VAL . 2.2 mt -72.7 137.22 45.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.605 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 18.8 p -151.63 -169.33 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.02 -156.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.07 -23.94 22.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -54.91 -29.52 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 138' ' ' THR . 1.5 mtmm -75.69 -26.01 57.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.3 m -82.99 -39.9 20.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.756 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.06 -46.39 75.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.878 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.7 t -71.62 -47.06 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -57.03 12.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.46 -54.47 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.679 ' HE1' HD13 ' A' ' 102' ' ' LEU . 16.8 t80 -56.75 -49.37 75.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.2 mt -56.12 -57.23 13.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LEU . 79.2 mt -39.4 -49.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.28 40.66 2.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.4 p -67.78 127.99 93.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.52 5.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.453 HG23 ' CE2' ' A' ' 113' ' ' TYR . 6.8 m -149.33 -43.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.88 102.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.29 103.96 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB3' HD22 ' A' ' 149' ' ' LEU . 1.4 p -54.4 -37.78 65.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -55.51 -16.67 4.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.9 OUTLIER -104.93 -39.94 6.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 155' ' ' VAL . 3.5 mt -44.99 169.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 3.4 t -147.31 136.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.679 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 2.8 m-85 -86.81 162.21 17.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 71.2 m -41.52 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.8 m-20 157.12 101.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 169' ' ' ALA . 21.3 p90 -120.6 -48.12 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 79.96 146.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -35.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.05 -38.11 62.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.65 ' HB3' ' HD2' ' A' ' 165' ' ' PHE . . . -66.76 -54.92 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.63 -48.43 69.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -70.68 110.73 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.828 HG13 ' HA2' ' A' ' 64' ' ' GLY . 18.7 t -99.44 147.34 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -68.77 104.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 46.07 82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.33 155.56 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 45.81 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -49.01 158.26 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.94 -179.3 6.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 112.42 65.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -144.68 -159.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -161.1 144.86 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -135.24 128.88 32.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -147.75 99.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 87.5 t80 -112.91 147.74 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 37.9 m-70 -148.34 168.92 21.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.655 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.77 142.7 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.94 -144.06 33.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -91.32 176.96 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 124' ' ' HIS . 59.2 m -40.89 152.32 0.25 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -171.27 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.814 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.756 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.1 mt-10 -75.53 124.51 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 10' ' ' GLU . 3.6 m -162.06 110.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.46 112.43 21.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.0 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG13 HG12 ' A' ' 101' ' ' VAL . 13.8 m -56.84 130.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.5 t70 -66.06 -38.86 89.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -152.6 94.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.768 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -68.16 130.25 42.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.79 112.15 22.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.411 ' CE3' HG21 ' A' ' 54' ' ' VAL . 28.9 m95 -69.27 -11.11 60.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.477 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 4.9 pm0 -102.34 62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 175.78 83.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.636 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -176.83 -164.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 -146.71 44.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 12.0 mtmt -79.97 118.87 22.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 23' ' ' HIS . 9.7 m95 -135.78 134.93 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.463 ' NE1' ' O ' ' A' ' 43' ' ' GLY . 6.8 m0 -117.83 127.85 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 15.2 mt-10 -46.0 155.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.994 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -121.84 -90.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -106.54 101.33 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -128.6 168.0 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' O ' ' OH ' ' A' ' 39' ' ' TYR . 25.8 m-85 -74.51 131.64 79.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.1 Cg_endo -74.98 114.04 3.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.94 171.39 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.94 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -84.05 7.66 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.82 76.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 14.1 ttpt -131.0 135.1 47.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 25.7 m-85 -166.04 171.58 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.62 108.09 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -104.26 80.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -172.28 42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' NE1' ' A' ' 27' ' ' TRP . . . -131.41 178.9 17.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -136.99 118.82 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.733 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -130.61 125.43 34.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -119.23 156.87 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 56' ' ' VAL . 5.1 m-85 -102.19 124.68 48.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -99.71 109.56 55.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.04 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 50.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -164.88 12.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -97.39 163.17 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 49' ' ' PRO . 4.5 m -135.1 124.34 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -77.48 149.24 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' TYR . 46.9 t -139.43 136.38 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 69.0 m -131.22 117.62 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.733 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 ttm180 -106.55 140.34 39.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.75 120.27 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.38 -175.28 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.5 m -115.37 98.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.989 HD12 ' CG ' ' A' ' 67' ' ' TYR . 73.7 mt -81.08 117.02 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 m170 40.97 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.583 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 39.01 59.2 1.78 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -167.12 117.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.51 113.2 3.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.989 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -115.46 164.67 13.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -165.07 133.35 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.3 mmt -147.76 113.5 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 170.09 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 167.48 137.47 2.24 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.4 t -96.36 150.84 20.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -104.97 112.0 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 35.7 t80 -125.0 148.49 60.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -62.67 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.61 -126.78 2.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.14 111.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.7 p -45.85 -45.49 15.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.0 mttm -55.51 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -42.6 164.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.59 -108.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.33 63.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.779 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.94 105.92 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.791 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -78.97 135.52 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.549 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -107.37 121.05 43.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.567 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.66 131.73 35.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.031 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 104.61 7.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.782 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.7 p -82.77 148.58 27.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -149.3 101.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.41 -94.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.98 36.94 2.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.89 95.66 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.782 ' OG1' HG22 ' A' ' 89' ' ' THR . 3.5 m -105.77 131.25 53.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.418 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -140.02 145.39 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -95.6 115.92 28.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 24.3 m -100.26 141.05 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.83 139.62 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -131.75 110.51 10.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.73 102.0 13.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.768 HG21 ' HE2' ' A' ' 17' ' ' PHE . 43.1 t -83.55 92.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 148' ' ' TYR . 6.2 mt -35.44 -87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.464 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -163.06 114.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.94 160.5 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -90.54 -2.86 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 40.34 66.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.16 -70.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.648 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 1.5 m-80 -147.33 18.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.872 ' CD2' HG22 ' A' ' 145' ' ' VAL . 0.0 OUTLIER -155.23 160.12 40.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.521 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -146.3 135.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.505 ' HB ' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.11 165.08 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.912 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.96 173.04 46.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 154' ' ' VAL . 11.9 t80 -151.58 111.9 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.01 165.22 13.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.8 OUTLIER -157.19 135.81 11.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 116' ' ' ARG . 16.8 ptt180 -104.07 121.84 44.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -68.74 125.62 27.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' LYS . 7.7 t0 -107.72 122.87 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.12 -51.65 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.16 -47.78 68.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -83.59 -17.0 43.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER 79.04 -56.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.93 -135.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 1.8 p-80 -160.74 174.12 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' A' ' 115' ' ' CYS . 76.2 m95 -125.81 160.76 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.8 149.83 22.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -175.16 115.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.912 HG21 ' C ' ' A' ' 112' ' ' GLY . 1.5 p -139.71 168.74 17.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.772 ' HD1' HD21 ' A' ' 131' ' ' LEU . 3.9 p90 -135.26 137.06 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.994 HG12 HG23 ' A' ' 29' ' ' VAL . 73.7 t -106.11 128.34 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -106.41 156.3 18.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.428 ' HB2' HG21 ' A' ' 29' ' ' VAL . 3.3 t -149.65 150.41 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.483 ' CB ' ' OD1' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -51.04 -57.04 9.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.3 m -99.8 173.91 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -26.47 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -122.78 144.77 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.962 HD11 HG21 ' A' ' 145' ' ' VAL . 1.2 mt -67.63 133.52 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 81.5 p -151.33 -172.29 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 45.26 -170.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -46.73 -24.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 109' ' ' TYR . . . -53.53 -32.0 48.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -71.12 -30.33 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.4 m -79.27 -37.95 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.962 HG21 HD11 ' A' ' 137' ' ' LEU . 11.7 t -71.44 -48.71 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 150' ' ' ILE . 2.1 mm-40 -52.52 -57.03 11.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.69 -54.13 45.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.705 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 29.0 t80 -56.47 -49.98 73.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.016 HD22 ' HB3' ' A' ' 157' ' ' SER . 22.7 mt -56.78 -56.53 20.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 149' ' ' LEU . 27.8 mt -37.76 -49.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.75 43.35 1.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.4 p -67.26 126.79 93.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.753 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.46 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.94 -26.31 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -156.11 -44.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.876 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.7 p -52.99 102.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 159' ' ' LYS . 0.4 OUTLIER -89.42 101.75 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 1.016 ' HB3' HD22 ' A' ' 149' ' ' LEU . 6.5 p -46.89 -41.19 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -52.96 -22.22 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -91.22 -47.5 7.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.2 mt -46.89 172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' A' ' 33' ' ' PRO . 5.6 t -149.93 130.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 1.9 m-85 -78.87 157.4 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 14.0 m -41.47 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.4 OUTLIER 156.53 110.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.8 p90 -122.49 -47.52 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.1 OUTLIER 79.45 147.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.53 -34.51 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.14 -38.81 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -68.35 -57.86 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.756 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.1 OUTLIER -54.83 -48.77 72.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.322 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.64 120.22 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 170' ' ' CYS . 81.7 t -117.33 149.44 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -78.41 103.16 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 43.25 90.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.469 ' HB2' HG12 ' A' ' 172' ' ' VAL . 0.4 OUTLIER 173.21 -68.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -104.92 66.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 4.2 p-90 -69.22 127.46 33.14 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.8 t -105.63 170.7 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -144.99 110.0 4.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.587 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 175.37 11.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -143.47 -163.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -138.54 139.7 38.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.17 129.33 33.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 16.4 mttt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 32' ' ' TYR . 1.8 m -123.5 110.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -111.63 102.24 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -102.26 169.66 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.67 144.92 27.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.48 -135.5 14.97 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.523 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -127.72 -173.0 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 137.95 3.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.98 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -79.79 110.95 15.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.63 115.22 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -75.33 113.55 26.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -74.96 175.49 11.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG13 HG12 ' A' ' 101' ' ' VAL . 3.3 m -52.88 129.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HA ' HD13 ' A' ' 81' ' ' ILE . 11.7 p-10 -65.29 -34.11 77.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.19 93.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.66 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -65.53 159.61 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -157.71 121.31 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -85.78 5.9 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -47.45 -47.28 27.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.049 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.75 -56.58 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -56.67 84.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -171.04 -173.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.2 -145.99 20.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.85 120.77 41.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' ' CD1' ' A' ' 110' ' ' ILE . 12.4 m95 -123.36 171.75 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.463 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 19.5 m0 -143.14 129.59 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mp0 -47.94 146.18 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.978 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -115.05 -80.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -132.4 113.82 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' O ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -137.35 150.45 47.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 2' ' ' VAL . 3.5 m-85 -42.82 134.03 2.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.95 122.19 7.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.1 178.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -42.85 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -104.09 20.48 18.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 42.24 78.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.63 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 pttt -128.59 120.76 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 38' ' ' LYS . 9.8 m-85 -166.04 169.99 14.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.41 117.46 0.92 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 165' ' ' PHE . 3.1 mptt -102.48 57.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.11 49.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.25 171.58 21.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -122.79 122.57 39.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -117.25 98.8 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.48 161.77 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -123.23 126.53 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -106.26 110.01 63.6 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.9 43.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.15 -165.91 12.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -46.67 -30.56 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 158.98 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.754 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.6 m -136.76 117.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -66.11 139.4 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -130.21 123.26 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -121.48 117.75 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.707 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -116.29 133.36 56.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.59 120.6 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -146.85 -174.44 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' OE1' ' A' ' 66' ' ' GLU . 43.6 t -114.82 99.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.116 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -64.06 149.91 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' ILE . 18.4 m170 -36.99 88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 65.47 54.12 28.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CB ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -169.9 159.7 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.802 ' OE1' HG13 ' A' ' 61' ' ' VAL . 51.6 mm-40 -122.79 112.62 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.116 ' CD1' HD12 ' A' ' 62' ' ' ILE . 13.5 p90 -130.01 169.38 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 3.5 t80 -164.15 108.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.9 mmt -105.05 133.37 49.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.474 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -141.34 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.57 136.96 2.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 7.6 t -75.06 152.82 38.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . . . -102.06 114.09 27.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 19.7 t80 -129.66 149.5 73.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.1 t -66.41 -53.63 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.65 -119.4 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.19 114.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.8 m -50.99 -44.82 60.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.64 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 15' ' ' ASP . 4.2 mm -44.99 154.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.75 -106.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.08 61.25 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.567 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -108.75 107.92 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.806 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.81 139.79 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 73' ' ' ALA . 9.6 m-70 -104.05 121.61 43.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.69 108.85 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 97' ' ' THR . 0.1 OUTLIER -103.37 116.94 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.571 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -97.62 145.16 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' GLY . 55.7 t -141.64 90.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.39 -86.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -129.75 33.31 3.0 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -144.52 94.54 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.571 ' OG1' HG22 ' A' ' 89' ' ' THR . 22.6 m -90.31 135.15 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 135.11 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -95.28 107.21 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.53 HG21 ' NH1' ' A' ' 88' ' ' ARG . 65.8 m -94.17 140.22 30.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.03 127.51 61.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.652 ' CE2' HG22 ' A' ' 101' ' ' VAL . 2.7 t80 -126.23 109.69 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.43 103.73 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG22 ' CE2' ' A' ' 99' ' ' PHE . 70.3 t -75.18 96.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.802 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.2 mt -35.9 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -166.87 89.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.43 ' OG1' HG13 ' A' ' 110' ' ' ILE . 1.1 t -77.05 154.62 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 106' ' ' ASN . 23.1 p-10 -94.0 -1.89 53.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 0.6 OUTLIER 38.95 64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 -62.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.796 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -139.87 -43.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.91 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -108.25 154.24 22.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.719 ' CD1' ' CH2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -122.93 133.21 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.768 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.6 tp -111.03 131.93 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.54 164.53 31.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -152.44 113.18 4.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.6 p -125.97 138.99 53.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 139.25 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.09 127.98 56.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.03 138.95 46.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.93 125.72 50.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.44 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -50.1 -56.67 9.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -67.66 -20.39 65.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 80.32 -54.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.45 -141.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 7' ' ' ALA . 2.2 p80 -154.58 176.51 12.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -132.8 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -112.92 113.15 25.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 127' ' ' HIS . 2.6 p80 -130.59 104.74 7.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.9 OUTLIER -105.52 -178.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 128' ' ' VAL . 4.1 p90 -147.29 124.88 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.927 ' C ' HD23 ' A' ' 131' ' ' LEU . 85.3 t -105.7 124.16 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.927 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -112.44 149.86 31.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB3' HG22 ' A' ' 29' ' ' VAL . 2.0 t -149.86 151.03 32.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -52.19 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 m -104.51 -171.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.4 148.34 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.978 ' HG ' HG11 ' A' ' 29' ' ' VAL . 7.2 mt -75.08 142.43 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.734 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -154.73 -167.32 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 33.9 -151.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.143 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.08 -24.61 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -52.16 -45.79 65.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -63.64 -36.08 82.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.6 m -66.77 -49.37 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.91 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.35 -40.62 71.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.63 -39.38 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.17 -56.84 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -54.03 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.802 ' HE1' HD13 ' A' ' 102' ' ' LEU . 18.4 t80 -56.6 -49.51 74.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 152' ' ' SER . 16.1 mt -56.59 -56.8 16.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 98.0 mt -40.61 -48.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -96.39 39.72 2.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.2 p -68.74 115.65 32.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.96 7.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.801 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -146.1 -44.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.976 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.5 p -53.26 90.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 154' ' ' VAL . 1.2 p30 -74.3 104.1 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.768 ' HA ' HD12 ' A' ' 160' ' ' LEU . 3.7 p -56.49 -43.17 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -52.81 -23.12 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -38.66 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.976 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.7 mt -47.21 170.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 31' ' ' LYS . 13.6 p -146.02 135.04 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.4 m-85 -92.99 161.98 14.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 28.9 p -39.27 160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 163' ' ' SER . 2.4 m-20 159.2 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 41' ' ' LYS . 27.4 p90 -117.53 -42.3 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 71.77 150.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.48 -34.82 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.23 -35.16 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 165' ' ' PHE . . . -75.84 -54.47 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -54.0 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.45 163.85 26.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.39 147.25 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.62 107.99 7.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.82 125.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.82 173.61 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 43.71 87.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -81.63 158.31 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.8 71.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 126.24 21.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -171.11 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -148.35 -168.87 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.02 158.75 44.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -129.92 127.52 40.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.4 tttp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 2' ' ' VAL . 36.0 m -138.78 104.74 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 3.7 t80 -74.84 156.79 36.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' NE2' ' OD2' ' A' ' 126' ' ' ASP . 79.7 m-70 -143.41 178.8 7.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.622 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -121.4 13.88 11.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.97 -137.41 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.76 -166.58 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.17 133.48 95.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.03 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.6 mt-10 -84.15 126.96 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 102' ' ' LEU . 2.7 m -153.66 111.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -75.99 113.16 24.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.07 171.96 17.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.782 HG13 HG12 ' A' ' 101' ' ' VAL . 30.2 m -56.06 138.05 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.621 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -67.53 -42.53 82.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.8 p30 -152.25 89.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.957 ' CE1' HG21 ' A' ' 104' ' ' THR . 0.5 OUTLIER -66.98 124.06 21.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.84 124.38 50.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CZ3' ' CE2' ' A' ' 22' ' ' TYR . 13.7 m95 -76.31 -3.78 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -50.5 -55.61 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -113.01 61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.9 OUTLIER 174.83 82.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.658 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -177.65 -158.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.564 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 65.06 -149.62 51.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 122.43 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.716 ' CZ3' ' CD1' ' A' ' 110' ' ' ILE . 8.8 m95 -136.15 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.01 134.89 46.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 163.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.984 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -123.72 -77.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 161' ' ' VAL . . . -134.51 116.33 14.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -146.2 134.79 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' LYS . 50.9 m-85 -30.38 127.89 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' CG1' ' A' ' 161' ' ' VAL . 18.3 Cg_endo -75.04 143.12 28.56 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -59.22 178.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -75.02 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.7 t-20 -93.63 23.74 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.07 77.91 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -129.52 135.89 49.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 44.2 m-85 -167.82 173.38 8.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.98 108.13 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -103.29 63.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.6 m -163.57 51.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.32 177.41 22.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 10.3 p90 -130.64 142.18 50.44 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.588 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -144.52 114.95 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -113.07 159.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.731 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.8 m-85 -109.27 134.78 51.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -108.7 109.13 61.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 116.06 4.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.32 43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.01 -164.37 15.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -29.41 18.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -96.77 158.6 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 73' ' ' ALA . 35.1 m -133.0 121.78 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -75.89 148.64 38.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.731 HG21 ' CE2' ' A' ' 47' ' ' TYR . 17.6 t -140.02 136.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 p -131.34 117.82 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.588 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 1.1 ttt85 -109.65 143.37 39.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.96 120.78 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.09 -174.48 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.69 99.19 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.021 HD12 ' CG ' ' A' ' 67' ' ' TYR . 44.1 mt -82.66 122.53 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.3 m170 40.0 74.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 59.73 1.04 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -162.59 121.47 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.4 113.72 2.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.021 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.3 t80 -123.01 159.86 27.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 58' ' ' ARG . 10.1 t80 -165.58 139.87 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.45 121.44 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.66 166.84 10.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -177.95 158.23 23.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.4 t -123.2 145.35 48.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -100.26 112.35 24.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CG ' ' HD2' ' A' ' 75' ' ' PRO . 37.3 t80 -126.58 148.73 65.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.01 129.79 12.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.46 -46.96 47.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.01 -124.18 2.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.88 114.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 m -45.55 -50.89 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' ILE . 42.7 mttp -55.41 -74.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' A' ' 15' ' ' ASP . 16.8 mm -39.41 157.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.34 -106.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.41 59.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.8 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.12 105.81 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.698 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -81.14 137.85 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.711 ' O ' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -107.02 136.7 46.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.583 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 106.07 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.61 110.74 22.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.8 p -77.03 149.68 35.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 90' ' ' VAL . 3.1 t -139.51 90.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.24 50.47 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.17 -39.13 2.98 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -74.58 100.73 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 89' ' ' THR . 37.3 m -98.78 129.34 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -133.76 137.09 44.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -96.5 104.9 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 86' ' ' HIS . 13.2 t -91.49 141.38 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.7 127.68 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 40.0 t80 -124.89 110.55 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -86.35 108.14 18.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.782 HG12 HG13 ' A' ' 14' ' ' VAL . 66.7 t -78.04 90.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' A' ' 101' ' ' VAL . 5.7 mt -31.13 -86.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.423 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -154.5 73.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.957 HG21 ' CE1' ' A' ' 17' ' ' PHE . 9.6 t -53.8 144.67 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.462 ' C ' ' ND2' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -77.82 -35.7 51.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' A' ' 104' ' ' THR . 3.4 m-80 71.25 49.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.08 -78.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.812 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 2.1 m-80 -123.52 -42.58 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 1.176 ' CE2' HG23 ' A' ' 145' ' ' VAL . 2.6 t80 -110.07 143.66 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.716 ' CD1' ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -112.49 135.88 50.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.813 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -109.86 133.9 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.509 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -159.1 167.7 34.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.487 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 48.8 t80 -149.89 132.86 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -146.37 148.74 32.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 0.4 OUTLIER -147.2 131.69 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 108.348 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -101.63 141.58 34.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -81.33 130.16 34.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.73 96.79 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.62 59.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -64.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -110.48 14.1 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 80.07 72.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.62 -137.49 3.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 3.8 p-80 -161.33 179.12 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.592 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 4.6 m95 -142.01 148.08 37.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 2' ' ' VAL . 60.1 m-20 -108.2 153.08 23.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 127' ' ' HIS . 1.0 OUTLIER -161.21 94.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 112' ' ' GLY . 1.4 p -98.89 157.83 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.752 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 1.4 p90 -120.68 146.24 46.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.001 ' C ' HD23 ' A' ' 131' ' ' LEU . 99.1 t -124.92 125.2 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.001 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -117.4 141.86 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.617 ' OG ' HG13 ' A' ' 29' ' ' VAL . 88.2 p -143.01 148.99 37.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -42.44 63.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 m -102.01 175.26 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -17.09 64.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.41 157.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 109' ' ' TYR . 2.0 mt -75.73 134.68 40.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.754 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -153.32 -168.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.39 -167.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.83 -24.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -51.94 -45.18 64.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -55.19 -34.89 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.4 m -65.16 -49.08 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.28 -35.42 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.176 HG23 ' CE2' ' A' ' 109' ' ' TYR . 0.7 OUTLIER -78.46 -39.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -57.33 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.63 -53.44 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 111' ' ' ILE . 13.2 t80 -55.35 -51.85 65.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.7 -56.42 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LEU . 38.9 mt -39.91 -49.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.24 42.92 1.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 149' ' ' LEU . 1.3 p -66.19 115.51 24.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.614 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -75.03 -17.1 19.76 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -164.49 -40.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 160' ' ' LEU . 5.7 p -51.12 106.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.54 106.09 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.779 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.0 p -57.65 -48.33 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -53.35 -20.03 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.41 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 1.054 HD11 HG22 ' A' ' 155' ' ' VAL . 3.2 mt -56.26 172.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.622 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 7.5 p -146.79 157.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 163' ' ' SER . 13.9 m-85 -117.72 162.37 18.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 162' ' ' TYR . 43.4 p -41.82 164.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.3 OUTLIER 162.82 94.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 21.1 p90 -119.04 -47.78 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.49 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.6 OUTLIER 68.93 152.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 110.008 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -34.47 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.78 -28.39 48.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -81.28 -55.75 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -39.57 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -65.62 111.5 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.87 151.0 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -56.99 169.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.58 112.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 37.6 t 178.79 -67.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -104.55 66.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -42.46 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 107.982 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.23 177.52 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -134.1 96.46 15.91 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -166.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.504 ' CG ' ' N ' ' A' ' 183' ' ' GLU . 89.9 t80 -147.05 172.23 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.504 ' N ' ' CG ' ' A' ' 182' ' ' PHE . 4.5 mp0 -135.02 124.11 24.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 126' ' ' ASP . 23.6 m -116.25 124.96 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 9.5 t80 -116.42 141.83 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 124' ' ' HIS . 5.8 m-70 -137.61 162.7 33.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.593 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -100.39 145.88 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.78 -135.9 12.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.54 175.75 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -42.78 139.3 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.2 Cg_endo -75.03 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.5 mt-10 -73.68 122.23 22.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 10' ' ' GLU . 2.4 m -154.38 113.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' HD23 ' A' ' 102' ' ' LEU . 9.7 tttp -75.01 113.06 21.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 167.17 27.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG13 HG12 ' A' ' 101' ' ' VAL . 14.3 m -55.53 122.9 5.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.713 ' HA ' HD13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -66.24 -29.11 69.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -155.99 89.18 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -67.23 157.16 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -158.18 120.96 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CG ' HG11 ' A' ' 54' ' ' VAL . 1.6 m95 -87.07 6.34 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 21' ' ' GLN . 3.3 m -46.88 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -88.16 -61.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.625 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -56.04 96.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.97 -156.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.601 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . 64.61 -138.96 40.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -99.53 132.92 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 0.727 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.947 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 13.8 m95 -137.03 151.76 49.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.017 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -125.2 128.74 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.97 158.64 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.752 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -118.3 -83.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -134.21 116.45 15.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 160' ' ' LEU . 15.2 pttt -143.4 143.56 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.073 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 92.3 m-85 -35.73 139.85 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.99 -170.69 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -126.99 176.85 2.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.2 Cg_endo -74.96 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.78 27.57 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.62 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.78 113.05 25.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 33' ' ' PRO . 21.0 m-85 -157.02 170.88 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.76 121.42 0.87 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -124.84 57.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 0.724 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -159.45 62.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 60' ' ' ASP . . . -150.76 178.1 28.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 6.3 p90 -123.46 119.26 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -132.63 121.04 22.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 6.9 mt-10 -123.19 157.78 32.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.27 130.6 55.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.9 m -121.92 109.18 34.05 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.9 19.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.96 120.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 53' ' ' SER . . . 68.95 45.9 61.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 3.4 mttp 74.88 -41.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -81.88 162.94 22.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 73' ' ' ALA . 4.2 m -131.81 113.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 149.29 48.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 41.4 m -121.67 117.54 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 2.9 ttt85 -112.55 139.71 47.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.507 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -152.95 118.84 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.983 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 2.0 p30 -155.78 -175.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.1 m -114.82 98.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.91 HD12 ' CG ' ' A' ' 67' ' ' TYR . 15.4 mt -80.66 124.15 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' ILE . 6.4 m170 38.75 73.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 67.04 0.56 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.66 123.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.76 114.9 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.91 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -120.77 161.98 20.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 90.9 t80 -165.37 124.2 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 ttp -139.68 107.93 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -106.13 170.06 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 171.11 160.57 19.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 2.7 t -115.86 146.55 41.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.684 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -97.29 112.61 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 37.4 t80 -127.1 148.29 65.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.57 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.97 130.25 13.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -73.65 -51.11 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -127.11 -122.35 2.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.71 116.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.7 m -55.28 -52.99 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -48.79 -61.16 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.713 HD13 ' HA ' ' A' ' 15' ' ' ASP . 24.3 mm -57.89 165.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 81' ' ' ILE . . . -65.12 -105.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.83 61.22 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.727 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -107.47 108.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.85 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -83.14 134.14 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -105.92 125.98 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 129.53 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.703 ' HD3' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -129.73 104.38 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.624 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.6 p -89.92 145.59 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.703 HG23 ' HD3' ' A' ' 88' ' ' ARG . 4.9 t -141.14 100.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.45 -91.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -121.42 34.79 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -144.19 101.21 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.624 ' OG1' HG22 ' A' ' 89' ' ' THR . 38.3 m -107.94 129.56 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -135.88 142.6 44.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' ' CZ ' ' A' ' 85' ' ' TYR . 19.4 mtpt -95.84 113.16 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 23.3 m -93.34 140.94 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.5 t -105.02 109.56 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.886 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 9.5 t80 -113.2 110.05 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -96.75 107.95 20.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.886 HG22 ' CZ ' ' A' ' 99' ' ' PHE . 63.3 t -74.0 104.32 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.719 HD13 ' HE1' ' A' ' 148' ' ' TYR . 4.8 mt -37.37 -87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.405 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -154.03 87.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.683 HG21 ' HE1' ' A' ' 17' ' ' PHE . 14.2 t -73.49 141.05 46.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.08 -14.55 46.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.649 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.7 OUTLIER 49.98 70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.43 -74.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -128.17 -40.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.827 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -110.19 160.23 16.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.947 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -128.59 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.827 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.0 tp -121.03 114.09 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.758 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -143.46 139.88 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.445 ' CD1' HG11 ' A' ' 11' ' ' VAL . 16.7 t80 -124.18 134.47 53.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 128' ' ' VAL . 3.9 t -142.95 158.97 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 124.48 6.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 108.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -97.13 136.8 37.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 5.0 t80 -84.76 140.34 31.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.78 111.0 15.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -74.86 -56.17 5.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -52.96 58.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -17.94 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.68 91.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 133.68 -141.13 12.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -155.81 172.47 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 65.0 m95 -129.68 160.18 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.455 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 15.9 t0 -105.9 105.84 16.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -110.82 94.95 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 112' ' ' GLY . 48.7 t -113.79 149.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.476 ' HD1' HD21 ' A' ' 131' ' ' LEU . 15.0 p90 -138.96 117.75 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.843 ' C ' HD23 ' A' ' 131' ' ' LEU . 97.5 t -97.53 130.85 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -105.26 160.74 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' HD13 ' A' ' 137' ' ' LEU . 4.2 t -149.8 144.76 26.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -48.25 -27.01 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -172.14 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 49.6 mtt -68.34 -18.05 64.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.99 136.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.653 HD23 HG11 ' A' ' 145' ' ' VAL . 7.3 tp -72.97 138.32 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.2 p -152.84 -169.91 3.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.24 -157.08 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -56.27 -22.05 27.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.773 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.24 -45.15 68.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -59.85 -27.56 66.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 6.9 m -74.75 -49.86 19.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.774 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -37.04 65.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.67 -34.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -72.06 -57.45 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -50.59 -51.52 47.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.719 ' HE1' HD13 ' A' ' 102' ' ' LEU . 22.7 t80 -54.59 -49.67 69.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 145' ' ' VAL . 11.5 mt -55.79 -37.9 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 146' ' ' GLU . 81.8 mt -63.28 -49.64 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.54 27.23 21.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.745 ' HB2' HG12 ' A' ' 155' ' ' VAL . 81.2 p -78.11 139.99 61.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.706 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.4 Cg_endo -74.98 -14.41 21.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.01 -100.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.853 HG22 HD11 ' A' ' 160' ' ' LEU . 8.4 p 29.58 87.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -75.1 101.19 4.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.709 ' HA ' HD12 ' A' ' 160' ' ' LEU . 12.1 p -58.69 -46.04 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -52.27 -41.11 62.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -76.37 -39.06 54.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.853 HD11 HG22 ' A' ' 155' ' ' VAL . 2.1 mt -46.0 166.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 58.4 t -149.65 120.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 163' ' ' SER . 1.5 m-85 -70.67 161.12 31.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' VAL . 82.7 p -39.09 158.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 174.68 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 169' ' ' ALA . 45.8 p90 -102.64 -46.25 4.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 67.58 150.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -34.51 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.08 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -68.09 -56.73 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -53.36 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -47.82 122.84 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 176' ' ' ASN . 43.9 t -96.42 151.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 5.1 t30 -55.79 119.68 6.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 175' ' ' SER . 1.4 t-20 39.66 52.42 2.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 174' ' ' ASN . 0.3 OUTLIER 35.94 77.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.45 ' HB2' HG12 ' A' ' 172' ' ' VAL . 4.9 m-20 -104.7 44.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -71.29 172.61 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 24.7 t -126.02 50.52 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.952 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.34 154.29 73.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 182' ' ' PHE . 7.0 pt20 -140.08 -158.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.423 ' O ' ' NE2' ' A' ' 181' ' ' GLN . 4.2 t80 -148.83 172.78 14.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -135.2 129.11 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.8 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.534 HG21 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -152.24 120.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 7.8 t80 -110.89 158.47 18.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 42.2 m-70 -148.16 -178.35 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.55 17.12 7.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.82 -136.96 3.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.8 -171.64 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -52.07 132.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.01 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -82.25 118.66 23.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -146.93 114.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -75.83 113.15 24.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.0 172.74 15.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 101' ' ' VAL . 9.4 m -55.32 135.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.571 ' HA ' HD13 ' A' ' 81' ' ' ILE . 6.2 p-10 -67.65 -40.61 84.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -154.21 90.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -66.63 134.43 52.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.09 124.61 45.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CE3' HG21 ' A' ' 54' ' ' VAL . 4.0 m95 -86.01 8.9 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 22' ' ' TYR . 5.2 pp0? -100.83 -48.06 4.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -57.46 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -175.21 -156.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 -144.3 45.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HZ1' ' HZ2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -91.96 135.64 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 110' ' ' ILE . 10.3 m95 -137.54 170.94 15.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -141.72 120.69 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 1.5 mt-10 -48.6 156.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.962 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.0 OUTLIER -117.59 -70.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 162' ' ' TYR . . . -153.11 129.55 10.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.582 ' HE3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -153.35 170.62 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' CE2' HG21 ' A' ' 2' ' ' VAL . 2.6 m-30 -56.45 127.14 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HG3' ' CG2' ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.93 -175.44 2.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -127.92 174.53 4.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.4 Cg_endo -74.99 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.2 m-20 -91.93 19.87 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.23 91.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -116.65 116.41 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 12.4 m-85 -169.14 170.17 8.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.0 109.26 0.4 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -109.37 83.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.6 p 159.03 48.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.88 177.46 18.12 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -118.39 124.16 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -142.11 138.78 31.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -138.61 160.65 39.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -115.7 121.16 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 94.5 m -111.35 130.79 22.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.17 17.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.09 46.33 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 69.11 85.01 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER 83.76 -48.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -87.95 159.05 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 73' ' ' ALA . 32.9 m -133.83 116.38 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -71.32 147.63 47.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 71' ' ' GLY . 66.9 t -137.73 129.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 12.4 p -125.96 118.38 25.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 137.41 52.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.09 120.45 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 111.001 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -175.03 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 170' ' ' CYS . 1.8 m -107.44 103.14 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.919 HD12 ' CG ' ' A' ' 67' ' ' TYR . 65.0 mt -86.94 129.81 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.8 m170 39.38 70.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 38.94 58.87 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -165.03 127.31 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.6 mt-10 -61.5 112.82 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.919 ' CG ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -121.36 159.5 25.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 7.8 t80 -165.23 136.03 3.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.474 ' HE1' ' HD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -150.69 150.7 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 15.8 mt-10 -140.67 163.7 32.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 168.56 128.86 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 13.1 t -81.3 163.02 23.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.602 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -115.0 112.35 22.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 43.9 t80 -126.61 149.29 67.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 120.98 6.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.86 -51.07 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.11 -127.86 4.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.59 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.7 p -40.56 -48.94 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' ILE . 18.1 mttt -55.29 -72.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' ASP . 41.9 mm -40.32 161.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -62.48 -104.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 42.01 54.96 3.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -100.71 107.74 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.646 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -86.28 140.54 30.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.593 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 1.3 t60 -104.89 115.7 30.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.4 104.75 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -100.16 120.41 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.886 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.7 p -92.21 149.22 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.1 92.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 39.73 58.03 2.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.73 -34.55 4.32 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.67 94.5 3.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.886 ' OG1' HG22 ' A' ' 89' ' ' THR . 4.1 m -95.88 134.49 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 138.3 54.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -95.6 100.47 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' HIS . 26.1 m -94.96 130.85 41.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.73 121.6 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.715 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 89.8 t80 -123.89 109.49 13.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -87.41 124.92 33.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 14' ' ' VAL . 55.4 t -92.3 96.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.5 mt -32.59 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.06 112.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.429 HG21 ' CE1' ' A' ' 17' ' ' PHE . 2.8 t -104.73 150.19 24.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 106' ' ' ASN . 0.5 OUTLIER -80.19 -3.0 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 6.8 p30 38.94 49.73 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -66.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.629 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -132.56 -45.27 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.911 ' HB2' HD21 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -99.88 160.95 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.89 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -143.97 137.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -120.53 169.69 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.41 40.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.482 ' HA ' ' CG1' ' A' ' 128' ' ' VAL . 9.6 t80 -155.59 118.26 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 0.798 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.9 p -142.99 152.01 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 124' ' ' HIS . 1.7 p -155.99 146.79 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -116.75 140.99 48.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -70.08 105.72 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.58 100.57 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 55.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -58.94 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 16.94 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 80.49 87.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.11 -131.98 3.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CD2' ' SG ' ' A' ' 115' ' ' CYS . 2.6 p-80 -163.2 179.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 3.5 m95 -141.38 137.57 32.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.027 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.53 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 34.2 t70 -98.48 149.35 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 96.4 m-70 -159.45 102.46 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 129' ' ' TRP . 0.8 OUTLIER -104.16 -176.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.715 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.8 p90 -151.94 141.29 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.031 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -117.71 133.25 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.031 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -118.78 146.55 44.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 29.7 t -149.95 157.82 43.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.53 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.64 174.0 11.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 ptp -64.11 -19.85 65.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.13 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.962 ' HG ' HG11 ' A' ' 29' ' ' VAL . 1.6 mt -72.19 144.26 48.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.791 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.5 p -154.53 -172.18 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 34.65 -151.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.69 -25.62 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.29 -41.52 65.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -40.72 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.1 m -62.38 -48.33 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.93 -45.27 74.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 137' ' ' LEU . 0.5 OUTLIER -72.0 -42.15 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.6 -57.58 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.51 -53.68 42.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 1.055 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 10.9 t80 -56.22 -50.67 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 157' ' ' SER . 44.0 mt -55.6 -57.43 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' LEU . 88.2 mt -39.69 -49.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.83 41.03 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 149' ' ' LEU . 2.3 p -68.8 113.18 14.33 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 0.757 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.745 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -17.9 19.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 153' ' ' PRO . 5.2 m -161.45 -41.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 1.055 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 2.3 p -53.06 94.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -77.87 112.34 14.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.643 ' HA ' HD12 ' A' ' 160' ' ' LEU . 6.8 p -67.48 -45.09 76.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -52.5 -34.12 48.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -83.48 -39.98 19.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.791 HD11 ' CG2' ' A' ' 155' ' ' VAL . 2.2 mt -46.61 171.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 7.9 t -145.36 145.48 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.63 ' CG ' ' HB2' ' A' ' 30' ' ' ALA . 2.1 m-85 -100.91 162.55 12.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 162' ' ' TYR . 13.9 m -36.28 153.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 163' ' ' SER . 1.0 OUTLIER 162.77 87.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 34.5 p90 -114.5 -49.26 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.561 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 79.85 141.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.32 -34.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.37 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -60.96 -58.01 10.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.601 ' O ' HG23 ' A' ' 172' ' ' VAL . 7.0 m -61.66 -51.29 69.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.89 113.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 170' ' ' CYS . 85.7 t -99.53 149.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.53 119.02 11.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.9 m120 58.95 169.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t 71.77 -71.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 66.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -178.12 5.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.042 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.0 t 65.86 141.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.953 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.36 150.95 56.75 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.573 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.53 11.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -141.48 -158.28 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . 0.406 ' CG ' ' N ' ' A' ' 183' ' ' GLU . 50.8 t80 -150.16 171.02 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 182' ' ' PHE . 0.6 OUTLIER -134.15 124.72 26.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.6 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 126' ' ' ASP . 27.6 m -141.21 105.19 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 0.0 OUTLIER -110.38 148.44 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.565 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 6.2 m-70 -148.25 163.67 36.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.633 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.6 17.69 19.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -124.52 -134.26 4.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.619 ' C ' ' CE1' ' A' ' 124' ' ' HIS . . . -136.5 152.78 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.63 ' N ' ' CE1' ' A' ' 124' ' ' HIS . 0.0 OUTLIER -34.52 137.94 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HG3' HG11 ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.98 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.77 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -86.16 147.43 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 ' CE1' ' A' ' 113' ' ' TYR . 3.7 m -162.56 110.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -68.15 111.06 6.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.1 Cg_endo -75.05 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.801 HG13 HG12 ' A' ' 101' ' ' VAL . 4.8 m -56.56 135.38 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -66.04 -41.41 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -156.25 94.79 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.775 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.98 129.59 40.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.12 116.07 24.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.472 ' CE3' HG21 ' A' ' 54' ' ' VAL . 11.7 m95 -71.35 -11.81 61.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.9 m -48.75 -46.73 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 106' ' ' ASN . 2.0 pm0 -120.41 61.68 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.744 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 175.38 84.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -175.38 -168.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.624 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.05 -140.02 27.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -86.24 121.31 28.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 14.6 m95 -136.48 122.71 20.48 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 10.0 m0 -104.17 135.45 45.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 107.981 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 0.0 OUTLIER -55.97 154.45 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.887 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -111.78 -82.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 162' ' ' TYR . . . -136.39 118.51 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.704 ' C ' HD23 ' A' ' 160' ' ' LEU . 0.6 OUTLIER -135.56 170.01 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CE2' ' OD2' ' A' ' 156' ' ' ASP . 13.2 m-85 -60.19 138.45 91.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.01 147.23 33.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -73.53 177.96 1.78 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -75.0 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -94.92 20.93 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.78 75.7 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.3 124.19 49.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 62' ' ' ILE . 15.4 m-85 -154.37 177.01 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.45 120.74 0.53 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' CE ' ' HB2' ' A' ' 163' ' ' SER . 0.1 OUTLIER -95.29 -138.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 67.0 m 45.39 52.07 9.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.293 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.597 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -117.49 177.63 16.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -153.89 118.43 4.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.06 165.74 21.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.75 159.79 39.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.88 ' CD2' HG22 ' A' ' 56' ' ' VAL . 4.6 m-85 -121.75 134.59 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 m -110.43 109.59 58.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.37 5.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.52 54.31 1.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.57 -171.44 13.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -46.78 -31.27 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -94.38 155.41 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CE3' ' A' ' 19' ' ' TRP . 7.8 m -130.77 117.41 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -63.43 148.93 47.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.88 HG22 ' CD2' ' A' ' 47' ' ' TYR . 59.4 t -136.03 134.15 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.54 118.32 19.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 135.32 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -153.21 120.32 5.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 18.8 p30 -159.79 -174.51 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.597 HG11 HG22 ' A' ' 172' ' ' VAL . 48.6 t -109.5 138.1 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.867 HD12 ' CG ' ' A' ' 67' ' ' TYR . 33.1 mt -126.97 117.28 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLY . 6.7 m170 40.28 78.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.599 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 36.68 54.42 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.4 113.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.14 120.09 9.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.867 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -116.44 159.71 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 27.9 t80 -165.72 138.46 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.83 141.17 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 174.84 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.23 179.58 39.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -134.87 138.39 44.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.429 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -94.68 122.25 37.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.647 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 27.2 t80 -133.96 148.22 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.05 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.616 HG23 ' HD2' ' A' ' 85' ' ' TYR . 1.1 t -61.02 -50.24 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -124.43 -124.96 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 111.68 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -45.15 -47.59 12.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ILE . 4.1 mptt -56.34 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -38.63 156.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -54.51 -108.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.17 56.01 7.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.663 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -110.73 107.62 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.616 ' HD2' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -90.56 141.05 29.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 97' ' ' THR . 0.1 OUTLIER -107.51 134.06 51.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -86.75 104.72 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.963 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 114.74 26.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.954 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.0 OUTLIER -93.49 144.68 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.08 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' GLY . 35.0 t -141.11 94.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.68 -80.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -138.26 33.4 2.24 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -141.47 96.38 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.954 ' OG1' HG22 ' A' ' 89' ' ' THR . 53.9 m -93.96 128.39 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -131.91 135.35 46.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 3.9 mptt -95.02 106.96 18.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 86' ' ' HIS . 15.2 t -92.92 137.75 32.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 97.3 t -87.03 125.83 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CZ ' ' CE2' ' A' ' 129' ' ' TRP . 22.5 t80 -124.61 108.99 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.97 102.9 15.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.801 HG12 HG13 ' A' ' 14' ' ' VAL . 24.2 t -72.85 101.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' VAL . 3.7 mt -38.07 -86.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.41 111.72 3.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.515 HG21 ' CE1' ' A' ' 17' ' ' PHE . 11.8 t -106.7 136.07 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 4.2 t0 -74.17 -4.23 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 21' ' ' GLN . 3.1 p30 41.61 73.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -78.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.799 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -124.36 -38.43 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.558 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -105.26 154.2 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.792 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -142.47 141.01 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.682 HD11 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -122.9 136.39 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -131.53 171.31 21.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.953 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -161.54 133.45 5.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.966 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.43 -176.52 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.2 p -156.87 162.89 39.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -139.73 109.41 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.99 131.35 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.15 98.91 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.98 -13.54 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.72 -52.02 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -99.48 -7.02 26.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 88.5 -50.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -60.01 -139.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.63 ' CE1' ' N ' ' A' ' 8' ' ' CYS . 9.4 p-80 -164.13 178.25 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.9 m95 -131.94 159.79 37.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' A' ' 2' ' ' VAL . 14.8 t70 -119.18 140.98 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.19 134.25 6.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 113' ' ' TYR . 0.8 OUTLIER -135.29 179.38 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.753 ' CE2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 p90 -142.84 128.29 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.949 ' C ' HD23 ' A' ' 131' ' ' LEU . 84.8 t -101.85 135.73 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.949 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.5 OUTLIER -111.06 156.54 21.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.534 ' HB3' HD13 ' A' ' 137' ' ' LEU . 6.4 p -146.4 145.59 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -50.07 -54.32 21.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.5 m -105.52 -165.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.504 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.72 -21.27 60.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.404 HG12 HG22 ' A' ' 138' ' ' THR . 2.1 t -131.45 150.06 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 HG11 ' A' ' 145' ' ' VAL . 2.7 tp -75.81 131.16 39.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.75 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.7 p -150.55 -169.66 3.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 141' ' ' ALA . . . 42.92 -166.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -47.09 -23.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 108' ' ' ASN . . . -54.78 -35.53 63.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.409 ' O ' HG12 ' A' ' 145' ' ' VAL . 10.7 mtpt -68.89 -25.57 64.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.2 m -75.98 -52.59 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.17 -40.31 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.606 HG11 HD23 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.34 -37.3 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -56.34 14.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.85 -49.71 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.941 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 20.5 t80 -56.18 -52.91 62.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 157' ' ' SER . 28.5 mt -55.14 -56.99 13.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 90.3 mt -40.69 -47.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.38 39.53 2.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.571 ' HB2' HG13 ' A' ' 155' ' ' VAL . 6.0 p -71.72 123.09 88.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.686 ' HD2' HG12 ' A' ' 155' ' ' VAL . 18.3 Cg_endo -75.07 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.443 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -114.12 -34.43 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.941 HG11 ' CZ ' ' A' ' 148' ' ' TYR . 1.8 p -54.92 92.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.537 ' OD2' ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.8 115.89 14.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 160' ' ' LEU . 7.4 p -74.37 -48.43 28.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -52.9 -19.82 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 160' ' ' LEU . 0.0 OUTLIER -99.07 -38.65 8.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 157' ' ' SER . 3.5 mt -45.55 170.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 65.3 t -144.37 119.77 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -76.5 162.47 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 86.1 p -40.56 162.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 m-20 156.83 100.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 166' ' ' SER . 24.1 p90 -108.98 -52.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.488 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 74.02 149.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -45.2 -35.52 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.54 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 166' ' ' SER . . . -82.62 -56.89 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -57.56 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 167' ' ' GLU . 0.5 OUTLIER -66.93 119.05 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.597 HG22 HG11 ' A' ' 61' ' ' VAL . 12.9 t -98.7 146.31 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -73.34 107.25 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.89 167.21 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.52 168.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 40.73 80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -82.14 174.93 10.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.95 79.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -144.5 125.67 7.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.599 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.72 34.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -149.16 -164.77 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.45 167.67 21.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.37 129.34 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.2 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m -84.67 120.95 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CE3' ' A' ' 125' ' ' TRP . 4.3 t80 -105.34 139.71 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -138.3 158.93 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -104.3 143.55 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 91.59 -140.08 15.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.29 -168.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 155.69 61.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.733 ' O ' HG13 ' A' ' 11' ' ' VAL . 10.1 mt-10 -82.17 124.68 30.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.6 m -161.52 112.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -76.19 113.0 24.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.06 166.16 29.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.678 HG21 ' CD2' ' A' ' 17' ' ' PHE . 11.6 m -48.62 126.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HA ' HD13 ' A' ' 81' ' ' ILE . 8.9 p-10 -64.76 -37.11 86.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -156.85 87.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.739 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.74 154.08 41.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB3' ' CG ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -121.68 120.6 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.434 ' CH2' HG21 ' A' ' 84' ' ' ILE . 33.4 m95 -69.42 -27.98 65.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.562 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -57.43 -67.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.701 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -56.04 -100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -44.96 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -170.49 -174.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.41 -133.61 12.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 5.8 mtmt -94.91 141.83 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.794 ' CE3' HD12 ' A' ' 110' ' ' ILE . 39.3 m95 -151.68 116.28 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 135' ' ' MET . 0.1 OUTLIER -97.8 141.27 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 33.9 mt-10 -64.29 156.19 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.934 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -121.51 -85.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -120.75 112.1 18.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -142.24 149.96 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -49.25 132.78 16.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HG3' HG21 ' A' ' 161' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.47 169.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.69 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.75 1.93 24.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 78.4 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 17.6 mttm -130.03 136.33 49.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 18.7 m-85 -166.13 173.44 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -176.66 119.72 0.71 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 165' ' ' PHE . 19.6 ttpt -107.67 69.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 41' ' ' LYS . 52.8 m -160.36 49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 108.329 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.06 177.22 30.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -132.32 158.36 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 57' ' ' SER . . . -146.96 100.83 3.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -97.25 156.4 16.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.6 m-85 -118.78 129.97 55.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.7 m -119.22 109.31 39.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 129.76 12.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.5 124.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 78.48 34.19 36.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER 82.06 -44.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.06 168.77 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 73' ' ' ALA . 14.9 m -125.7 112.0 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.85 149.25 49.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 47' ' ' TYR . 41.6 t -138.57 128.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 1.5 m -120.89 117.74 28.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -109.72 138.31 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -153.44 119.65 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -155.09 -174.81 5.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 61' ' ' VAL . 7.5 p -124.72 98.45 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD12 ' CB ' ' A' ' 67' ' ' TYR . 4.1 mt -81.96 124.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER 39.14 75.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' HIS . . . 37.81 51.78 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.23 118.69 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.0 118.31 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CB ' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -121.72 163.2 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -165.03 141.96 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.35 122.04 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.17 168.58 9.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 86' ' ' HIS . . . 178.1 159.98 23.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -122.68 137.43 54.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.372 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -90.88 125.18 35.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.621 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 58.8 t80 -142.25 148.68 48.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.621 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 133.78 17.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -81.01 -49.31 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.43 -131.42 4.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.1 m-20 -44.6 107.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 1.8 m -38.96 -60.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -66.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 15' ' ' ASP . 3.5 mm -49.31 159.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -59.07 -110.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.34 57.43 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.697 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -105.19 112.56 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -92.29 141.12 28.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -112.7 127.28 56.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 118.14 21.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.96 107.6 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.65 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.4 p -86.11 149.13 25.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 92' ' ' GLY . 84.5 t -149.76 94.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.7 -89.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -125.88 35.65 2.95 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -145.42 93.07 2.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 0.788 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.65 ' CG2' HG22 ' A' ' 89' ' ' THR . 74.4 m -110.9 126.44 54.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.55 146.45 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.92 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' TYR . 89.1 m -97.97 129.21 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.459 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 85' ' ' TYR . 5.9 p -91.23 125.47 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 84.1 t80 -119.64 111.48 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -85.03 115.34 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 17' ' ' PHE . 53.9 t -89.04 105.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 HG12 ' A' ' 11' ' ' VAL . 10.1 mt -39.5 -90.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.35 66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.616 HG23 ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -50.3 160.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -90.1 -18.94 24.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.701 ' ND2' HE22 ' A' ' 21' ' ' GLN . 0.5 OUTLIER 53.49 42.54 31.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 -45.41 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.871 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -154.04 -45.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.81 ' HE2' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -106.69 153.32 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.794 HD12 ' CE3' ' A' ' 26' ' ' TRP . 1.1 mt -122.74 122.42 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.81 HD13 ' HE2' ' A' ' 109' ' ' TYR . 2.7 tp -103.84 116.57 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 99' ' ' PHE . . . -135.37 -179.79 16.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.574 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 11.4 t80 -167.39 122.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 111.035 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 99' ' ' PHE . 15.7 p -144.86 149.53 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.412 1.07 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 12.2 p -154.42 131.65 11.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.2 137.4 39.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 37.7 t80 -71.82 131.94 43.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -143.96 99.55 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.13 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -61.97 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -113.47 -48.12 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER 169.43 82.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.67 -138.74 7.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.2 p80 -156.29 177.45 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.415 ' CE3' ' CD1' ' A' ' 3' ' ' TYR . 9.6 m95 -121.34 163.01 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 108.023 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.65 141.32 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -152.64 102.97 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.61 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 129' ' ' TRP . 11.9 p -107.62 164.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.77 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 7.2 p90 -133.63 119.28 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.942 ' C ' HD23 ' A' ' 131' ' ' LEU . 95.9 t -93.96 132.57 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.942 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -110.79 158.37 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.566 ' OG ' HG13 ' A' ' 29' ' ' VAL . 15.6 p -149.98 129.86 13.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -35.84 -55.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 m -101.6 -178.43 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.511 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . 7.3 ptt? -62.07 -23.37 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.86 150.9 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.599 ' HB2' HG11 ' A' ' 29' ' ' VAL . 5.8 tp -74.71 136.37 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 2.9 p -151.81 -166.37 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 38.66 -156.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.17 -20.52 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.871 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -53.88 -47.29 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -57.81 -34.47 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.0 m -70.18 -46.54 64.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.777 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.7 -38.24 69.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.713 HG23 ' HD2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -78.88 -34.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.15 -57.93 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -49.6 -54.13 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.654 ' CE2' HD11 ' A' ' 111' ' ' ILE . 21.1 t80 -55.87 -49.65 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 157' ' ' SER . 34.0 mt -56.73 -44.62 81.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 64.8 mt -54.55 -49.33 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.36 35.9 4.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.51 ' HB2' ' CG1' ' A' ' 155' ' ' VAL . 23.6 p -78.09 139.99 61.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.744 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.1 Cg_endo -75.06 -14.25 21.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -165.28 -105.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.715 ' CG2' HD11 ' A' ' 160' ' ' LEU . 2.8 p 24.06 88.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.58 105.41 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.938 ' HA ' HD12 ' A' ' 160' ' ' LEU . 14.2 p -61.63 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -52.42 -21.15 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 -44.19 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.0 mt -50.99 176.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.592 HG21 ' HG3' ' A' ' 33' ' ' PRO . 90.6 t -149.78 118.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -68.03 161.13 27.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 59.0 m -39.25 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.93 98.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 24.9 p90 -121.31 -47.77 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 73.06 148.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.66 -33.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.56 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.15 -56.79 15.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.452 ' O ' HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -57.3 -49.62 75.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -50.67 123.21 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 170' ' ' CYS . 18.6 t -108.94 140.92 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -78.47 108.67 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.5 176.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.45 -78.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -104.02 62.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 178.19 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.012 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.52 87.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -143.31 129.71 10.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.5 7.17 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.442 1.759 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -156.54 -160.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.3 164.42 28.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -134.96 126.36 28.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 27.1 tptt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' A' ' 4' ' ' HIS . 9.7 m -137.49 132.01 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.597 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 55.7 t80 -97.31 147.14 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 1.1 m-70 -150.12 169.42 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.35 146.37 28.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.2 -132.16 11.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.92 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -43.99 140.08 2.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' CYS . 18.4 Cg_endo -74.98 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.26 117.46 17.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 102' ' ' LEU . 2.3 m -150.88 111.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -75.47 112.52 19.46 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.5 Cg_endo -74.94 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.776 HG13 HG12 ' A' ' 101' ' ' VAL . 16.6 m -55.56 134.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 81' ' ' ILE . 9.4 p-10 -66.41 -43.66 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -150.89 92.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.669 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -67.61 135.97 53.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.9 117.9 31.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 54' ' ' VAL . 71.2 m95 -73.26 -22.33 60.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 107.959 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.534 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -47.45 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' CB ' ' A' ' 106' ' ' ASN . 3.0 pm0 -71.25 -95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.579 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -36.1 95.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -173.92 -172.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.64 -147.98 33.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 126.17 37.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.613 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.6 m95 -127.41 143.72 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 42' ' ' CYS . 11.2 m0 -117.82 134.62 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.74 152.01 43.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.035 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -123.63 -89.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' O ' HD22 ' A' ' 160' ' ' LEU . . . -103.11 82.05 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 166.93 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.575 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 5.1 m-85 -76.2 152.8 84.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.651 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 2.99 5.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER 80.62 171.76 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLY . 35.2 t30 -90.4 24.27 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 36.49 46.55 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 30.1 ttpt -129.74 123.61 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.651 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 37.9 p90 178.88 179.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.62 171.22 38.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -118.7 -148.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER 39.86 57.48 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.28 175.5 15.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 6.9 p90 -138.75 120.24 14.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' SER . . . -142.06 127.38 18.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -116.76 161.16 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.12 126.76 49.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m -118.43 110.15 39.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 134.57 17.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.27 113.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 88.47 27.44 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 88.8 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.48 179.68 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.507 HG21 ' CE3' ' A' ' 19' ' ' TRP . 6.1 m -139.2 119.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.39 148.88 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.59 129.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 4.5 p -131.58 120.37 22.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -120.72 135.8 55.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -153.56 120.49 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -159.23 -174.8 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.764 HG12 ' OE2' ' A' ' 66' ' ' GLU . 3.5 m -115.71 122.36 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.09 HD12 ' CD1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -80.58 151.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 169' ' ' ALA . 46.2 m-70 -35.89 87.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 62' ' ' ILE . . . 71.24 53.88 9.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -173.96 169.5 4.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.764 ' OE2' HG12 ' A' ' 61' ' ' VAL . 1.1 mm-40 -130.13 112.87 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.09 ' CD1' HD12 ' A' ' 62' ' ' ILE . 17.0 p90 -129.1 152.09 49.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -160.61 108.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.77 140.32 49.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -127.83 164.92 21.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 87' ' ' SER . . . 179.61 -140.44 4.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 5.1 t -158.88 156.11 28.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 54' ' ' VAL . . . -107.2 118.22 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.8 t80 -130.29 148.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.04 122.08 6.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.816 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -66.75 -50.56 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -117.2 -131.4 4.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.85 124.16 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 p -51.52 -47.72 63.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -55.23 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 15' ' ' ASP . 22.3 mm -40.39 161.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -64.96 -104.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.99 61.52 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -106.79 107.18 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.816 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -80.77 135.21 35.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -106.39 124.54 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.455 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -80.58 143.64 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.33 104.3 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.623 HG22 ' OG1' ' A' ' 94' ' ' THR . 2.6 p -83.27 148.04 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.3 p -148.2 133.24 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 37.53 -101.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.27 35.95 3.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.19 140.04 32.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.623 ' OG1' HG22 ' A' ' 89' ' ' THR . 6.7 m -127.1 126.0 42.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -126.52 138.25 53.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.62 120.5 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 86' ' ' HIS . 2.0 m -102.93 138.23 40.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 76' ' ' VAL . 64.8 t -99.18 128.45 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.795 ' CE2' ' CZ2' ' A' ' 129' ' ' TRP . 37.7 t80 -129.6 109.73 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -91.29 102.57 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 14' ' ' VAL . 10.0 t -73.08 102.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 11' ' ' VAL . 6.4 mt -37.25 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.58 101.78 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 106' ' ' ASN . 1.6 t -94.78 152.93 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.44 -12.17 46.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER 49.24 47.45 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.03 -67.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -130.24 -43.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 1.025 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -108.59 159.6 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.613 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -135.68 136.99 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.553 HD13 ' HE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -117.5 127.11 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 1.002 ' O ' HG23 ' A' ' 128' ' ' VAL . . . -149.45 116.11 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.485 ' CZ ' ' CG ' ' A' ' 126' ' ' ASP . 20.8 t80 -100.33 124.15 45.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.586 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -127.59 160.82 30.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -156.54 130.76 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -102.3 137.02 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 122' ' ' LYS . 3.8 t80 -93.73 127.59 39.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -104.36 125.02 50.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -55.37 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.32 -59.18 4.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.439 ' O ' ' CE1' ' A' ' 117' ' ' TYR . 0.0 OUTLIER 77.51 -56.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.36 -154.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.107 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 25.5 p-80 -143.25 178.14 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.566 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 17.4 m95 -143.63 130.88 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 0.7 OUTLIER -95.55 152.65 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 126' ' ' ASP . 47.7 m80 -164.61 96.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 112' ' ' GLY . 7.2 p -97.36 146.01 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.795 ' CZ2' ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -122.29 147.47 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 29' ' ' VAL . 55.7 t -120.44 124.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 129' ' ' TRP . 9.5 mt -103.92 157.15 17.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.509 ' OG ' HG13 ' A' ' 29' ' ' VAL . 36.9 p -149.99 129.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -38.3 -51.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 m -106.54 176.47 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -24.84 3.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.436 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 1.4 t -152.17 128.23 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.921 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.15 144.52 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.471 ' HA ' ' CD ' ' A' ' 142' ' ' LYS . 9.6 p -144.41 171.68 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.06 -140.21 39.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -54.58 -30.24 53.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -60.58 -39.01 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 138' ' ' THR . 1.2 mtpm? -63.61 -42.62 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 146' ' ' GLU . 9.0 m -68.19 -32.71 73.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.434 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 1.025 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -55.0 -45.78 75.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.02 -44.03 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 143' ' ' THR . 2.5 mm-40 -58.16 -57.58 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -49.68 -51.11 40.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.851 ' CZ ' HG11 ' A' ' 155' ' ' VAL . 5.0 t80 -54.25 -55.4 28.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 26.1 mt -57.38 -42.72 82.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mt -51.98 -43.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -116.42 32.05 5.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 148' ' ' TYR . 10.3 p -78.59 146.26 69.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.805 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.2 Cg_endo -75.0 -17.85 19.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -165.95 -101.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.853 ' CG2' HD11 ' A' ' 160' ' ' LEU . 6.8 p 26.8 87.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 1.8 p30 -80.66 99.65 8.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.92 ' HA ' HD12 ' A' ' 160' ' ' LEU . 1.4 p -48.3 -37.73 17.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -54.61 -18.76 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.575 ' HG2' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -96.62 -45.85 6.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.2 mt -48.5 177.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 73.1 t -150.32 119.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 163' ' ' SER . 1.3 m-85 -75.11 156.5 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 162' ' ' TYR . 74.5 m -36.87 117.13 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -170.09 49.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 166' ' ' SER . 42.3 p90 -63.64 -50.27 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.584 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.14 149.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.96 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.1 OUTLIER -45.81 -36.44 5.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.93 65.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.604 ' HB2' ' CE1' ' A' ' 63' ' ' HIS . . . -84.71 -56.79 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.554 ' O ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -64.47 -78.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 108.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.9 tttt -48.65 96.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.546 HG23 ' HA2' ' A' ' 64' ' ' GLY . 14.6 p -89.21 149.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -83.95 103.41 13.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.2 172.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 p -80.48 68.14 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -99.76 64.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 164.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 2.8 m 63.99 92.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.37 125.87 7.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.573 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.07 19.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -145.21 -166.57 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.97 151.87 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.28 129.19 33.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 3.2 mptt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' O ' ' CE3' ' A' ' 125' ' ' TRP . 1.6 m -151.9 94.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.538 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 22.5 t80 -115.16 143.56 45.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 26.0 m-70 -153.0 163.7 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.625 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -116.47 139.51 50.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.4 -136.39 20.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 179.86 5.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 m -45.36 152.71 0.62 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.602 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.0 -166.69 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.848 ' O ' HG13 ' A' ' 11' ' ' VAL . 5.3 mt-10 -66.51 118.45 10.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 10' ' ' GLU . 1.4 m -165.88 110.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -76.8 112.3 21.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -74.95 -178.6 4.26 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.726 HG13 HG12 ' A' ' 101' ' ' VAL . 25.3 m -54.68 132.7 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -42.44 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -157.11 82.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.971 ' CZ ' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -66.37 150.01 49.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.24 135.97 54.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 54' ' ' VAL . 37.6 m95 -77.13 -25.71 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.026 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.51 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 3.8 m -58.96 -65.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.663 HE22 ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -58.64 -101.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.813 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -48.01 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -177.16 -171.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.54 -144.47 34.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.12 127.13 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.988 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 15.4 m95 -139.44 150.64 45.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.11 162.68 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.31 152.4 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.965 HG23 HG12 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -130.47 -96.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -91.67 81.29 5.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 146.16 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.659 ' CD1' HD23 ' A' ' 160' ' ' LEU . 2.7 m-85 -62.16 135.93 95.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -138.89 178.83 1.49 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.3 Cg_endo -74.99 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -86.11 2.04 48.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.26 79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -124.52 117.36 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 81.5 m-85 -164.95 168.65 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.55 123.16 0.87 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -146.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.6 m 59.42 57.65 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' CZ2' ' A' ' 27' ' ' TRP . . . -145.23 176.5 24.23 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -154.97 132.78 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 58' ' ' ARG . . . -134.12 126.3 29.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 158.73 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD2' HG22 ' A' ' 56' ' ' VAL . 6.8 m-85 -112.45 125.96 54.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 m -101.94 109.92 60.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.752 ' HA ' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.97 120.62 6.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.99 49.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.64 -168.19 13.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.47 -29.62 10.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -98.77 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.047 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -133.0 118.76 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.8 149.4 46.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 47' ' ' TYR . 35.8 t -139.45 132.03 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -127.58 118.74 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -104.38 141.98 35.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -151.18 124.47 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.522 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -171.47 -175.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.64 123.48 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.073 HD12 ' CG ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -89.25 106.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' ILE . 2.7 m-70 34.51 44.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.43 34.56 9.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -139.88 100.86 4.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.47 111.77 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.073 ' CG ' HD12 ' A' ' 62' ' ' ILE . 32.0 p90 -128.12 147.98 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -151.91 113.73 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttm -120.3 123.51 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.8 165.23 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . -178.07 -171.22 41.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 1.0 OUTLIER -142.75 143.51 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.379 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -102.33 128.44 48.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 36.0 t80 -145.73 149.55 40.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.603 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -62.23 -51.25 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -121.17 -126.51 3.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.56 115.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.3 p -46.43 -46.08 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.75 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.16 -104.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG2' ' CG1' ' A' ' 76' ' ' VAL . 2.1 tttt 45.2 55.3 6.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.686 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -104.82 106.95 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 74' ' ' TYR . 1.2 p90 -86.76 141.79 28.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -113.54 125.34 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.556 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.79 128.72 34.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.91 106.31 10.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.518 HG22 ' OG1' ' A' ' 94' ' ' THR . 1.5 p -84.96 149.41 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.3 t -150.29 96.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.11 -94.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.95 36.18 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.24 97.99 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.518 ' OG1' HG22 ' A' ' 89' ' ' THR . 51.8 m -107.13 124.95 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -134.38 143.37 47.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -95.48 110.48 22.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 90.3 m -92.8 135.54 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.99 124.83 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.736 ' CE1' ' CE2' ' A' ' 129' ' ' TRP . 24.6 t80 -121.46 110.69 16.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -92.26 111.16 22.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 14' ' ' VAL . 54.5 t -81.21 95.7 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 11' ' ' VAL . 2.7 mt -36.24 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.426 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -152.92 95.82 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.971 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 8.8 t -90.82 144.03 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 18.2 m-20 -90.56 -8.93 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.663 ' ND2' HE22 ' A' ' 21' ' ' GLN . 12.4 p30 41.86 32.76 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -48.82 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.671 ' CG ' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -150.05 -44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.974 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 1.7 p90 -108.7 148.82 29.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.988 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -118.69 123.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.607 HD13 ' CE2' ' A' ' 109' ' ' TYR . 1.2 tp -108.83 120.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.558 ' O ' HG21 ' A' ' 128' ' ' VAL . . . -137.16 160.41 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.755 ' CD2' HG21 ' A' ' 11' ' ' VAL . 1.3 t80 -133.74 124.61 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 t -128.25 170.16 13.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 124' ' ' HIS . 4.7 m -156.37 134.56 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.274 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 116' ' ' ARG . 5.6 ptm180 -107.38 113.02 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 2.3 t80 -65.27 125.34 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.456 ' OD2' ' NE1' ' A' ' 125' ' ' TRP . 19.3 p-10 -113.88 98.57 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -19.99 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.05 -59.82 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 5.57 48.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 123' ' ' GLY . 1.1 mttt 77.93 -53.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 122' ' ' LYS . . . -59.37 -137.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 115' ' ' CYS . 1.2 p-80 -157.67 172.61 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.472 ' CE3' ' O ' ' A' ' 2' ' ' VAL . 84.4 m95 -120.77 163.47 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.453 ' CB ' ' HB ' ' A' ' 2' ' ' VAL . 64.0 t0 -93.16 137.22 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -175.17 98.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 129' ' ' TRP . 4.9 p -121.27 179.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.736 ' CE2' ' CE1' ' A' ' 99' ' ' PHE . 12.5 p90 -133.66 141.68 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.006 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.037 ' C ' HD23 ' A' ' 131' ' ' LEU . 60.8 t -113.8 139.62 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.037 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.4 OUTLIER -115.81 159.1 21.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 108' ' ' ASN . 2.9 t -150.0 150.48 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 108' ' ' ASN . 1.9 mtt180 -48.24 -51.78 24.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.2 m -103.43 -172.54 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -21.66 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.93 153.96 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.805 HD11 HG21 ' A' ' 145' ' ' VAL . 4.9 mt -73.34 139.91 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.671 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 8.0 p -152.95 -168.94 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 138' ' ' THR . . . 37.55 -158.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -24.95 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.671 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . . . -51.92 -43.47 63.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -59.01 -37.83 77.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.1 m -75.85 -37.39 59.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.974 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.97 -46.25 75.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.805 HG21 HD11 ' A' ' 137' ' ' LEU . 2.1 t -70.52 -47.05 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 150' ' ' ILE . 1.3 mm-40 -54.29 -57.03 12.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.45 -54.13 41.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 111' ' ' ILE . 8.1 t80 -55.78 -49.62 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 157' ' ' SER . 57.6 mt -55.82 -56.4 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 146' ' ' GLU . 93.7 mt -41.44 -49.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.83 36.21 3.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.583 ' CB ' HG13 ' A' ' 155' ' ' VAL . 23.7 p -75.23 123.37 88.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -32.23 5.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 156' ' ' ASP . 3.3 m -143.86 -43.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.842 ' CG2' HD11 ' A' ' 160' ' ' LEU . 7.2 p -51.77 92.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 0.5 OUTLIER -82.46 101.02 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.874 ' HA ' HD12 ' A' ' 160' ' ' LEU . 21.1 p -46.97 -42.7 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.57 -19.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -92.3 -47.47 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 157' ' ' SER . 5.6 mt -50.8 173.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.5 t -150.7 127.83 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.3 156.0 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' VAL . 11.3 p -42.17 163.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 5.2 p30 161.03 111.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 14.1 p90 -117.17 -52.96 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER 76.2 147.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.066 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 171' ' ' LYS . 0.3 OUTLIER -44.9 -36.94 3.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.54 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 165' ' ' PHE . . . -83.39 -56.8 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -48.77 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -51.34 112.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 40.4 t -91.38 143.27 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.32 102.65 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 175' ' ' SER . 0.7 OUTLIER 54.65 172.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 174' ' ' ASN . 0.3 OUTLIER 82.55 -71.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.31 56.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.51 ' CD1' ' C ' ' A' ' 177' ' ' TRP . 0.0 OUTLIER -75.28 168.43 20.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.5 m 65.14 96.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 181' ' ' GLN . 0.0 OUTLIER -118.34 162.95 27.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.46 12.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.444 1.76 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . 0.544 ' HB3' ' CE1' ' A' ' 179' ' ' HIS . 11.9 pt20 -155.02 -155.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -73.93 171.26 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -135.28 129.11 33.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.1 tptp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 126' ' ' ASP . 31.1 m -128.05 141.17 47.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.573 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 26.1 t80 -106.76 148.32 28.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' C ' ' A' ' 3' ' ' TYR . 12.6 m-70 -156.58 166.62 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -109.9 146.72 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.486 ' O ' ' CD2' ' A' ' 124' ' ' HIS . . . 90.76 -134.04 12.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.448 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . -118.82 -177.67 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -48.65 145.93 5.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.97 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.8 mt-10 -75.82 117.5 17.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.504 ' CB ' HD21 ' A' ' 102' ' ' LEU . 2.7 m -151.9 114.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -72.07 112.44 14.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.03 161.85 38.0 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 17' ' ' PHE . 15.7 m -48.01 123.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -32.35 73.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -154.99 83.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.726 ' CD1' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -65.95 146.05 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.61 123.76 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.549 ' HH2' HG21 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -87.25 7.27 29.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -46.3 -37.22 7.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.47 -69.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -44.84 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' O ' ' NE1' ' A' ' 26' ' ' TRP . 0.4 OUTLIER -175.89 -164.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.85 -147.95 47.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 134.9 34.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.719 ' CH2' HD12 ' A' ' 110' ' ' ILE . 13.0 m95 -139.11 132.31 29.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -101.77 131.57 47.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 108.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 pp20? -57.8 161.24 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.021 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -122.83 -86.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -118.59 112.92 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -137.21 147.7 46.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' N ' HD23 ' A' ' 160' ' ' LEU . 20.8 m-85 -38.61 160.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 5.65 3.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 68.52 166.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.5 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.52 8.38 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.02 44.17 50.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -125.8 -172.2 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 62' ' ' ILE . 46.0 m-85 -155.51 170.3 22.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.59 121.86 1.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.597 ' CB ' ' CD1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -140.03 -169.18 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.69 23.29 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.42 175.8 23.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -141.64 123.04 14.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -121.06 104.2 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -98.91 159.04 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.772 ' CD2' HG22 ' A' ' 56' ' ' VAL . 34.4 m-85 -123.02 126.81 47.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 m -104.26 110.42 64.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 118.98 5.45 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.03 51.55 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.96 -171.09 13.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -30.86 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -92.79 161.93 14.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.513 HG21 ' CE3' ' A' ' 19' ' ' TRP . 30.4 m -135.5 120.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -66.28 148.74 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' CD2' ' A' ' 47' ' ' TYR . 49.0 t -137.41 124.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.45 118.19 28.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -112.74 135.04 53.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -153.38 120.23 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' TYR . 3.6 p30 -156.14 -173.95 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.929 HG21 HG22 ' A' ' 172' ' ' VAL . 11.4 p -124.22 134.95 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.933 HD12 ' CD1' ' A' ' 67' ' ' TYR . 71.2 mt -127.87 113.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.9 m-70 38.42 78.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.89 49.83 5.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 108.54 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.15 112.33 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.933 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -88.41 160.35 17.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 70' ' ' GLU . 5.2 t80 -165.76 146.73 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -173.82 123.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 36.5 mt-10 -128.1 165.64 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 87' ' ' SER . . . 156.06 130.38 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.3 t -73.05 165.91 24.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . . . -118.56 114.13 22.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 85' ' ' TYR . 47.1 t80 -132.78 148.18 68.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HD2' ' CG ' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.99 135.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -79.83 -51.42 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -113.11 -131.71 5.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.51 114.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -41.96 -58.51 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -47.39 -61.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -50.95 157.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 14' ' ' VAL . . . -61.66 -107.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 44.05 54.08 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.549 HG21 ' HH2' ' A' ' 19' ' ' TRP . 1.1 mp -97.03 108.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.737 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -84.09 136.58 33.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.803 ' O ' HG22 ' A' ' 97' ' ' THR . 14.9 m-70 -106.5 121.84 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -84.79 107.93 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 26.5 ptt180 -104.41 119.24 38.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 94' ' ' THR . 1.1 p -102.26 142.14 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 90' ' ' VAL . 12.3 t -140.94 90.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.78 -90.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . -119.08 28.93 6.4 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t80 -141.71 93.53 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.744 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.604 ' CG2' HG22 ' A' ' 89' ' ' THR . 94.5 m -106.95 139.25 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -147.1 141.11 25.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.97 109.98 22.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 86' ' ' HIS . 14.9 t -92.88 149.29 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.7 t -103.26 130.78 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 114' ' ' SER . 42.1 t80 -133.16 110.51 10.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -97.46 108.98 21.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 14' ' ' VAL . 76.7 t -77.26 102.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD21 ' CB ' ' A' ' 11' ' ' VAL . 6.9 mt -34.57 -86.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 111' ' ' ILE . 0.5 OUTLIER -158.71 100.81 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.947 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.462 HG23 ' OD1' ' A' ' 106' ' ' ASN . 5.0 t -89.27 155.97 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -91.14 -33.4 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.462 ' OD1' HG23 ' A' ' 104' ' ' THR . 2.2 m-80 65.24 39.54 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.22 -55.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -140.64 -48.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.76 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -104.45 157.69 16.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.719 HD12 ' CH2' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -133.57 126.19 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 ' CE2' ' A' ' 148' ' ' TYR . 2.1 tp -103.42 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 128' ' ' VAL . . . 175.11 172.12 39.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 154' ' ' VAL . 19.8 t80 -167.03 114.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . 44.3 t -126.25 169.62 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' TRP . 0.5 OUTLIER -156.92 131.14 8.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 108.33 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -98.93 136.74 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 116' ' ' ARG . 4.6 t80 -73.47 141.81 46.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.36 117.21 24.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -59.89 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -48.47 -61.13 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -67.6 -19.29 65.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.24 -57.15 0.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.94 -153.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 6' ' ' GLY . 7.6 p80 -140.68 177.05 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.623 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 36.8 m95 -140.29 137.24 34.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.492 ' HB3' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER -99.41 101.55 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -117.06 101.2 8.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' TRP . 14.7 p -116.78 170.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.685 ' HD1' HD21 ' A' ' 131' ' ' LEU . 5.4 p90 -138.46 131.03 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.021 HG12 HG23 ' A' ' 29' ' ' VAL . 97.9 t -94.59 135.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.971 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -112.11 159.66 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.617 ' HB2' HD13 ' A' ' 137' ' ' LEU . 2.9 t -150.09 142.14 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 108' ' ' ASN . 24.7 ttp180 -48.28 -27.09 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.14 -178.9 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -30.66 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.23 145.96 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 132' ' ' SER . 6.9 tp -74.96 143.75 43.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.715 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 4.6 p -152.78 -165.94 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 138' ' ' THR . . . 35.92 -154.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.05 23.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -53.01 -47.43 68.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.539 ' HA ' HD23 ' A' ' 137' ' ' LEU . 6.1 mtmt -58.62 -39.45 80.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 96.1 m -67.77 -45.94 73.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -54.17 -43.56 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.596 ' HB ' HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -73.44 -41.41 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.43 -58.01 9.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.53 -52.33 47.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.816 ' CE2' HD11 ' A' ' 111' ' ' ILE . 1.9 t80 -52.91 -53.85 43.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 42.0 mt -48.39 -39.28 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 61.7 mt -69.46 -41.28 80.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.01 -3.16 89.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 148' ' ' TYR . 18.7 m -75.48 135.94 71.86 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.537 0.786 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 152' ' ' SER . 18.3 Cg_endo -74.99 -23.23 14.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 155' ' ' VAL . 16.3 m -141.19 -123.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.562 ' CG2' HD11 ' A' ' 160' ' ' LEU . 3.1 p 35.78 84.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.23 104.11 11.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.915 ' HA ' HD12 ' A' ' 160' ' ' LEU . 4.1 p -56.11 -39.9 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -53.45 -22.51 7.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -45.79 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.915 HD12 ' HA ' ' A' ' 157' ' ' SER . 6.4 mt -48.79 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 56.1 t -147.43 129.53 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 163' ' ' SER . 3.9 m-85 -74.0 161.93 29.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 164' ' ' ASP . 89.8 p -38.23 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 163' ' ' SER . 0.5 OUTLIER 161.44 92.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.672 ' HB2' ' HB3' ' A' ' 169' ' ' ALA . 1.2 p90 -120.68 -50.04 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER 82.53 149.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.56 -34.34 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.63 -37.04 67.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 165' ' ' PHE . . . -81.64 -57.7 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 24.1 t -48.47 -45.64 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 108.353 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -56.67 125.03 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.929 HG22 HG21 ' A' ' 61' ' ' VAL . 91.9 t -105.14 149.32 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 82.7 m-20 -78.51 102.79 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.7 OUTLIER 39.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.94 -51.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -148.51 47.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -48.45 172.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.38 171.84 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 116.12 64.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.8 3.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -143.01 -157.15 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -156.67 145.85 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -135.21 129.14 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 10.9 tptt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.21 123.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -105.81 111.0 23.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -99.98 165.45 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.44 144.58 30.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.26 -140.58 19.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.54 -173.7 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.36 137.21 3.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -79.8 111.98 16.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 113' ' ' TYR . 2.7 m -141.51 110.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.23 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -76.92 113.27 28.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.01 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.784 HG13 HG12 ' A' ' 101' ' ' VAL . 20.4 m -56.02 138.99 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.14 -41.06 90.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -160.61 90.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.769 ' HE2' HG21 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -66.52 132.69 48.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.91 111.66 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.625 ' CE3' HG21 ' A' ' 54' ' ' VAL . 64.1 m95 -62.91 -20.37 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m -48.4 -65.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.473 HE21 ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -72.49 -99.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.717 ' CD2' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -36.7 101.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -176.48 -156.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.04 -130.91 42.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 136.1 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.656 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 17.7 m95 -138.98 149.88 45.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -122.52 145.87 47.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.008 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 2.4 mt-10 -74.64 147.0 41.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.907 HG11 ' HG ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -117.93 -91.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 161' ' ' VAL . . . -108.34 106.93 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.694 ' C ' HD23 ' A' ' 160' ' ' LEU . 2.5 ptpt -125.97 -172.92 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OD1' ' A' ' 156' ' ' ASP . 1.7 m-85 -90.12 144.46 31.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 18.3 Cg_endo -75.01 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' PRO . 0.4 OUTLIER 50.8 173.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.0 Cg_endo -75.11 -59.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.27 -21.95 62.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 33' ' ' PRO . . . 62.9 77.88 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.8 105.77 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CA ' HG12 ' A' ' 62' ' ' ILE . 38.9 p90 178.34 159.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.05 -177.62 20.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' NZ ' ' HG2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -140.77 45.26 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -144.32 59.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.04 177.29 25.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.8 p90 -137.81 118.45 14.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -113.74 120.58 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.95 161.03 15.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.42 134.49 55.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 m -124.75 111.36 27.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 125.84 9.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.2 52.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.87 -173.09 14.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -45.32 -31.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 162.08 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 ' CE3' ' A' ' 19' ' ' TRP . 13.3 m -132.81 115.55 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.88 148.83 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.97 140.03 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 67.9 m -131.51 117.97 19.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.677 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -153.48 119.73 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.63 -174.38 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 ' CG2' ' A' ' 172' ' ' VAL . 21.3 t -106.48 119.04 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 67' ' ' TYR . 5.3 mt -106.93 113.18 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 m170 44.89 72.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.53 70.67 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.74 119.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.6 119.02 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.585 ' O ' ' CD1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -126.75 160.23 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 11.0 t80 -165.98 115.24 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.96 115.8 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -109.06 167.15 10.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.51 128.6 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 14.9 t -71.26 163.58 27.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.414 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 54' ' ' VAL . . . -114.31 115.41 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 41.6 t80 -130.16 148.66 70.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -74.94 126.17 9.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -72.35 -49.8 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 76' ' ' VAL . . . -116.28 -131.23 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' SER . 6.4 m-20 -44.67 111.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.0 t -39.03 -48.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -55.99 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.1 mp -39.03 150.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -53.1 -103.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 tptt 44.11 55.06 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -101.41 108.04 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.575 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -87.25 138.59 31.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 97' ' ' THR . 12.1 m170 -101.95 115.02 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 114.47 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.69 119.04 38.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 94' ' ' THR . 0.7 OUTLIER -111.49 135.4 52.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 91' ' ' GLY . 62.1 t -129.83 167.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.519 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -39.45 -39.92 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -154.38 27.47 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.441 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -139.47 98.02 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 89' ' ' THR . 25.9 m -117.02 130.31 56.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -152.82 142.36 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -96.57 111.4 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' HIS . 20.4 m -93.12 142.08 27.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.5 t -104.71 128.35 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CD1' ' CZ2' ' A' ' 129' ' ' TRP . 53.1 t80 -126.51 110.11 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.89 102.72 15.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.784 HG12 HG13 ' A' ' 14' ' ' VAL . 48.5 t -74.18 96.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 101' ' ' VAL . 8.3 mt -36.88 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 111' ' ' ILE . 0.3 OUTLIER -155.04 105.93 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.724 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 2.6 t -97.89 151.92 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.445 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' ASN . 7.8 t0 -95.1 -4.81 45.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' CB ' ' HG3' ' A' ' 21' ' ' GLN . 7.2 p30 38.72 45.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.7 -59.0 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.87 -46.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 1.014 ' CE1' ' HB1' ' A' ' 144' ' ' ALA . 2.1 p90 -111.34 152.44 27.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -123.01 125.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -106.6 129.99 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.632 ' O ' HG13 ' A' ' 128' ' ' VAL . . . -159.52 120.06 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 154' ' ' VAL . 25.2 t80 -98.21 143.2 28.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.436 ' C ' ' SG ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -144.76 166.59 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.062 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -157.37 158.21 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 122.44 27.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -79.87 133.82 36.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -119.4 126.28 51.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.83 -51.74 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -49.88 -57.48 7.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -20.04 61.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp 80.16 -54.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.53 -144.92 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -153.23 176.85 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.594 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -128.74 152.84 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.042 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.726 ' OD2' HG23 ' A' ' 128' ' ' VAL . 22.2 t0 -102.32 114.96 29.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -123.13 99.99 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.726 HG23 ' OD2' ' A' ' 126' ' ' ASP . 96.7 t -112.99 147.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.798 ' CZ2' ' CD1' ' A' ' 99' ' ' PHE . 3.1 p90 -136.23 123.28 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG12 HG23 ' A' ' 29' ' ' VAL . 72.7 t -105.49 138.41 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.553 HD23 ' C ' ' A' ' 130' ' ' VAL . 9.8 mt -113.64 160.39 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TRP . 1.6 t -150.4 144.78 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 108' ' ' ASN . 0.8 OUTLIER -43.2 -59.14 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 m -103.69 176.97 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -25.87 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 2.4 t -150.34 129.85 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.907 ' HG ' HG11 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.51 146.58 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.808 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.3 p -143.69 -178.81 6.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.43 -136.97 21.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -18.0 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -68.31 -37.05 80.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 147' ' ' ASN . 39.1 m -72.25 -38.9 68.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 109' ' ' TYR . . . -53.1 -45.63 68.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.701 HG23 ' CD2' ' A' ' 109' ' ' TYR . 2.1 t -73.31 -52.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.37 -54.74 12.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 143' ' ' THR . 1.4 t-20 -53.7 -49.54 67.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.574 ' O ' ' N ' ' A' ' 152' ' ' SER . 2.0 t80 -56.29 -52.42 64.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.951 ' CD2' HG11 ' A' ' 155' ' ' VAL . 43.0 mt -49.65 -35.33 21.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.1 -50.03 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -83.16 6.33 72.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 148' ' ' TYR . 24.9 p -76.63 139.67 67.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.422 ' C ' ' CG1' ' A' ' 154' ' ' VAL . 18.3 Cg_endo -74.96 -37.49 2.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.887 ' O ' HG23 ' A' ' 155' ' ' VAL . 2.2 m -151.64 110.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.951 HG11 ' CD2' ' A' ' 149' ' ' LEU . 2.9 t -166.23 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.528 ' OD1' ' CZ ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -74.81 94.65 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' ' 160' ' ' LEU . 26.0 p -62.3 -45.59 92.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -53.71 -27.14 26.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.48 -42.53 10.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.897 HD11 HG13 ' A' ' 155' ' ' VAL . 4.0 mt -45.0 168.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 47.5 t -149.65 130.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.461 ' HE1' HD11 ' A' ' 137' ' ' LEU . 1.7 m-85 -82.88 161.02 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.6 m -38.76 127.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 165' ' ' PHE . 30.8 m-20 -172.25 43.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 169' ' ' ALA . 10.5 p90 -37.66 -51.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.471 ' N ' ' CD2' ' A' ' 165' ' ' PHE . 4.1 t 72.54 149.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 171' ' ' LYS . 5.4 mt-10 -45.14 -35.98 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.36 68.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -83.89 -57.05 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -78.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 167' ' ' GLU . 2.4 tptt -52.95 119.64 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.58 ' CG2' HG11 ' A' ' 61' ' ' VAL . 68.8 t -96.68 151.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 174' ' ' ASN . 44.8 t30 -63.24 171.54 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 173' ' ' ASN . 2.9 m120 -40.61 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.63 146.62 13.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 56.7 t30 40.95 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -94.4 177.31 5.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 108.003 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 179' ' ' HIS . 45.1 m -130.48 172.12 12.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 178' ' ' SER . 0.1 OUTLIER -39.01 99.54 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 178' ' ' SER . 18.5 Cg_endo -74.92 -177.46 3.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.555 1.818 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -143.03 -165.84 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -138.63 151.95 47.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -135.27 129.21 33.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.431 ' N ' ' HD2' ' A' ' 159' ' ' LYS . 3.7 p30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 126' ' ' ASP . 25.5 m -102.07 103.3 14.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 12.3 t80 -116.98 100.29 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.37 162.08 13.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.3 138.32 52.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.54 -135.05 12.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -97.41 167.9 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' ALA . 12.3 m -40.65 150.95 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.272 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.25 115.99 24.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.4 m -141.58 111.75 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -64.85 110.73 4.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 167.78 26.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 103' ' ' SER . 5.5 m -56.6 132.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -38.45 88.92 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -154.01 90.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.806 ' CZ ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -65.01 130.93 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.79 109.31 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -62.12 -30.59 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 107.987 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -48.96 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' TYR . 1.6 pt20 -86.96 54.28 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.806 ' CE2' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 168.59 84.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.621 ' O ' ' CD1' ' A' ' 26' ' ' TRP . 0.7 OUTLIER -176.4 -160.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.61 -142.69 47.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.82 121.8 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.944 ' CZ3' HD12 ' A' ' 110' ' ' ILE . 8.7 m95 -132.47 107.24 8.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -75.85 126.41 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 130' ' ' VAL . 13.7 mt-10 -49.97 161.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.882 HG23 HG12 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -126.94 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' O ' ' CG2' ' A' ' 130' ' ' VAL . . . -110.94 118.73 36.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -146.15 147.8 31.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 62.1 m-85 -52.53 141.16 34.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HA ' ' CE1' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -74.97 2.01 7.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER 77.02 173.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 18.5 Cg_endo -74.96 -41.75 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -89.27 25.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' ASN . . . 33.69 39.17 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -130.32 120.18 23.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 33' ' ' PRO . 4.1 p90 -172.37 165.66 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.21 147.22 18.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -143.52 39.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -165.51 61.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.98 177.82 16.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 p90 -139.49 119.44 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 58' ' ' ARG . . . -135.48 160.6 37.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.1 160.88 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' CG ' HG22 ' A' ' 56' ' ' VAL . 9.9 m-85 -118.75 119.87 35.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -100.81 110.61 61.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 118.28 5.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.43 54.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.78 -171.86 13.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -46.74 -31.61 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.16 161.52 13.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 73' ' ' ALA . 29.5 m -132.39 116.88 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 3.4 mttt -65.46 149.42 50.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' CG ' ' A' ' 47' ' ' TYR . 77.9 t -142.35 139.01 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 m -131.01 119.41 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 45' ' ' ALA . 5.0 ttp180 -107.85 138.17 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.2 119.23 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -176.32 -175.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 66' ' ' GLU . 33.0 m -111.0 132.23 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.999 HD12 ' CG ' ' A' ' 67' ' ' TYR . 58.7 mt -105.18 110.53 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 40.95 70.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' HA2' HG22 ' A' ' 172' ' ' VAL . . . 53.75 62.6 5.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -172.27 112.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 61' ' ' VAL . 22.8 mt-10 -61.13 113.8 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.999 ' CG ' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -114.47 164.17 14.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -164.62 125.44 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.19 138.58 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.7 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 165.71 167.05 25.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 9.8 t -111.72 155.72 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . . . -107.27 112.47 25.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 42.4 t80 -125.35 148.55 61.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.559 ' O ' ' CE1' ' A' ' 74' ' ' TYR . 18.4 Cg_endo -74.96 116.61 4.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 85' ' ' TYR . 1.2 t -58.14 -47.28 87.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.48 -133.03 4.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -46.38 115.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -42.78 -44.48 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -55.0 -72.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 1.1 mp -46.23 150.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -55.4 -104.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 40.5 66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.654 HD12 ' H ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.15 112.56 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.708 ' HB3' HG23 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -89.05 137.61 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t60 -103.58 120.02 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.0 118.94 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -112.13 115.58 29.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.67 HG22 ' OG1' ' A' ' 94' ' ' THR . 0.9 OUTLIER -102.64 140.11 37.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 91' ' ' GLY . 10.6 t -151.71 170.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 90' ' ' VAL . . . -39.41 105.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 42.03 33.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -146.16 94.34 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.67 ' OG1' HG22 ' A' ' 89' ' ' THR . 2.4 m -123.46 124.68 43.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -139.91 146.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -95.58 113.79 25.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 86' ' ' HIS . 8.4 m -94.0 143.96 25.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.442 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.6 t -102.05 135.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 128' ' ' VAL . 42.8 t80 -131.36 111.3 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.07 108.77 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.583 HG21 ' HE2' ' A' ' 17' ' ' PHE . 51.5 t -90.69 98.8 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' VAL . 12.0 mt -38.07 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.597 ' HA ' HG12 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -165.28 85.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.813 HG23 HD21 ' A' ' 106' ' ' ASN . 0.1 OUTLIER -49.23 165.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.623 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 7.8 t0 -84.4 -28.97 26.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.813 HD21 HG23 ' A' ' 104' ' ' THR . 2.2 m-80 62.45 63.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.596 ' HB2' ' HB2' ' A' ' 141' ' ' ALA . 13.0 m-20 -161.65 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.949 ' HB2' HD21 ' A' ' 137' ' ' LEU . 1.7 t80 -102.39 146.67 27.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.944 HD12 ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -117.08 131.22 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.78 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -104.99 153.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.689 ' C ' HG21 ' A' ' 128' ' ' VAL . . . -174.52 177.71 46.57 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -160.74 123.47 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.01 172.21 8.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 124' ' ' HIS . 0.5 OUTLIER -145.38 129.86 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.319 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.4 112.2 23.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 124' ' ' HIS . 4.3 t80 -63.82 108.96 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.67 98.73 8.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 52.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -115.94 -49.45 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER 165.29 119.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.29 -146.03 18.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.601 ' CD2' ' HB2' ' A' ' 115' ' ' CYS . 26.5 p-80 -162.15 178.48 8.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 3' ' ' TYR . 35.3 m95 -126.47 164.76 20.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 107.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -108.57 135.03 50.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -149.17 107.47 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.647 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.689 HG21 ' C ' ' A' ' 112' ' ' GLY . 10.1 p -118.56 149.42 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . 0.764 ' HD1' HD21 ' A' ' 131' ' ' LEU . 7.8 p90 -106.25 123.15 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 107.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.053 ' C ' HD23 ' A' ' 131' ' ' LEU . 59.2 t -98.14 129.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.053 HD23 ' C ' ' A' ' 130' ' ' VAL . 0.2 OUTLIER -116.57 143.79 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.585 ' HB2' HG21 ' A' ' 29' ' ' VAL . 29.8 t -144.11 142.09 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -53.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.1 m -102.55 -178.34 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.85 1.96 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.534 HG12 ' CG2' ' A' ' 138' ' ' THR . 1.2 t -140.15 141.42 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 109' ' ' TYR . 0.4 OUTLIER -75.77 131.09 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.745 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 1.0 OUTLIER -152.57 -167.55 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 43.65 -168.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -46.97 -23.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.797 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 138' ' ' THR . . . -52.27 -40.18 61.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -62.71 -33.71 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.7 m -69.54 -41.28 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 105' ' ' ASP . . . -53.77 -40.26 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.775 ' CG2' ' CE2' ' A' ' 109' ' ' TYR . 2.5 t -74.51 -45.97 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 150' ' ' ILE . 0.5 OUTLIER -55.85 -57.85 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.67 -55.22 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.639 ' CD2' HD11 ' A' ' 111' ' ' ILE . 10.4 t80 -56.89 -49.2 76.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 157' ' ' SER . 16.4 mt -55.76 -57.92 9.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 149' ' ' LEU . 85.5 mt -38.96 -49.42 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -99.34 43.39 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -65.79 114.45 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.407 ' O ' HG13 ' A' ' 154' ' ' VAL . 18.5 Cg_endo -74.95 -28.57 9.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -152.21 -43.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.83 HG22 HD11 ' A' ' 160' ' ' LEU . 0.3 OUTLIER -50.97 110.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 106.8 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 149' ' ' LEU . 34.8 p -59.51 -47.34 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -53.48 -19.13 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -99.69 -38.56 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 155' ' ' VAL . 3.6 mt -50.55 163.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 97.1 t -138.25 144.54 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.507 ' OH ' HG11 ' A' ' 145' ' ' VAL . 8.1 m-85 -102.2 161.28 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' VAL . 93.7 p -37.12 105.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -159.04 82.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.527 ' CG ' ' N ' ' A' ' 166' ' ' SER . 32.6 p90 -115.17 -46.93 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER 72.81 147.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 171' ' ' LYS . 0.2 OUTLIER -45.6 -34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.34 66.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 165' ' ' PHE . . . -71.65 -57.29 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 171' ' ' LYS . 0.0 OUTLIER -55.25 -62.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 108.347 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 167' ' ' GLU . 22.7 tttt -39.43 126.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.589 HG22 ' HA2' ' A' ' 64' ' ' GLY . 69.8 t -98.41 151.05 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -60.49 170.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.12 171.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 m -74.21 68.37 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -104.23 62.41 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -88.72 143.35 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 55.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . 0.426 ' ND1' ' C ' ' A' ' 179' ' ' HIS . 0.0 OUTLIER -143.03 159.35 56.51 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.585 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.54 14.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -139.71 -158.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.98 177.56 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -133.5 121.02 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -179.947 . . . . . . . . 0 0 . 1 stop_ save_